1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine

C85H168N6O9 — CID 162029024

IUPAC1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCNC1.CC(C)OC1CCN(C(C)C)CC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCN(C2CC2)CC1.CC(C)OCc1ccccc1.CCN1CCC(OC(C)C)CC1
InChIInChI=1S/C11H21NO.C11H23NO.C10H21NO.C10H14O.2C9H19NO.C9H18O.C8H17NO.C8H16O/c1-9(2)13-11-5-7-12(8-6-11)10-3-4-10;1-9(2)12-7-5-11(6-8-12)13-10(3)4;1-4-11-7-5-10(6-8-11)12-9(2)3;1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-4-3-5-9-6-8;1-7(2)9-8-5-3-4-6-8/h9-11H,3-8H2,1-2H3;9-11H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;3-7,9H,8H2,1-2H3;2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyYVTSMEPWANRFRE-UHFFFAOYSA-N
MW1418.31 g/mol
LogP18.10
Rot. Bonds22

About 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine

1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine (PubChem CID 162029024) has the molecular formula C85H168N6O9 and a molecular weight of 1418.31 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine
PubChem CID162029024
Molecular FormulaC85H168N6O9
Molecular Weight1418.31 g/mol
Exact Mass1417.29
IUPAC Name1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine
SMILESCC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCNC1.CC(C)OC1CCN(C(C)C)CC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCN(C2CC2)CC1.CC(C)OCc1ccccc1.CCN1CCC(OC(C)C)CC1
InChIInChI=1S/C11H21NO.C11H23NO.C10H21NO.C10H14O.2C9H19NO.C9H18O.C8H17NO.C8H16O/c1-9(2)13-11-5-7-12(8-6-11)10-3-4-10;1-9(2)12-7-5-11(6-8-12)13-10(3)4;1-4-11-7-5-10(6-8-11)12-9(2)3;1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-4-3-5-9-6-8;1-7(2)9-8-5-3-4-6-8/h9-11H,3-8H2,1-2H3;9-11H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;3-7,9H,8H2,1-2H3;2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3
InChIKeyYVTSMEPWANRFRE-UHFFFAOYSA-N
XLogP18.10
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001418.31
LogP ≤ 518.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine with MolForge

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Launch Full Analysis

Related Compounds

4-phenylmethoxy-1-[[(3R)-piperidin-3-yl]methyl]piperidine
CID 95895392
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
N-benzyl-N-ethyl-3-piperidin-3-ylbutan-1-amine
CID 81043704
(3R)-3-[(1S)-1-phenylethoxy]piperidine
CID 129369907
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
ethane;1-methyl-4-(2-methyl-1-phenylpropoxy)piperidine;propane
CID 143176394
(3R)-1-(2-phenylmethoxypropyl)piperidin-3-amine
CID 171787628
1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
CID 117438888
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
(1-methylpiperidin-3-yl) 2-phenylacetate
CID 86143291
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
(2R)-N-[(3S)-1-methylpiperidin-3-yl]-2-phenylmethoxypropanamide
CID 94194356

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine?
The IUPAC name of 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine (CID 162029024) is 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine?
The canonical SMILES for 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine is CC(C)OC1CCCC1.CC(C)OC1CCCCC1.CC(C)OC1CCCN(C)C1.CC(C)OC1CCCNC1.CC(C)OC1CCN(C(C)C)CC1.CC(C)OC1CCN(C)CC1.CC(C)OC1CCN(C2CC2)CC1.CC(C)OCc1ccccc1.CCN1CCC(OC(C)C)CC1.
What is the InChIKey of 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine?
The InChIKey is YVTSMEPWANRFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C11H23NO.C10H21NO.C10H14O.2C9H19NO.C9H18O.C8H17NO.C8H16O/c1-9(2)13-11-5-7-12(8-6-11)10-3-4-10;1-9(2)12-7-5-11(6-8-12)13-10(3)4;1-4-11-7-5-10(6-8-11)12-9(2)3;1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)11-9-4-6-10(3)7-5-9;1-8(2)11-9-5-4-6-10(3)7-9;1-8(2)10-9-6-4-3-5-7-9;1-7(2)10-8-4-3-5-9-6-8;1-7(2)9-8-5-3-4-6-8/h9-11H,3-8H2,1-2H3;9-11H,5-8H2,1-4H3;9-10H,4-8H2,1-3H3;3-7,9H,8H2,1-2H3;2*8-9H,4-7H2,1-3H3;8-9H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine?
1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine has a molecular weight of 1418.31 g/mol, XLogP of 18.10, 22 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-yloxypiperidine;1-ethyl-4-propan-2-yloxypiperidine;1-methyl-3-propan-2-yloxypiperidine;1-methyl-4-propan-2-yloxypiperidine;propan-2-yloxycyclohexane;propan-2-yloxycyclopentane;propan-2-yloxymethylbenzene;3-propan-2-yloxypiperidine;1-propan-2-yl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 162029024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).