4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol

C28H59N3O — CID 163560284

IUPAC4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
SMILESCC(C)N1CCC(CO)CC1.CC1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H19NO.C9H19N/c1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-9(3)5-7-10/h9-10H,4-8H2,1-3H3;8-9,11H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3
InChIKeyFQQQSWHUIJZLMT-UHFFFAOYSA-N
MW453.80 g/mol
LogP5.74
Rot. Bonds5

About 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol

4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol (PubChem CID 163560284) has the molecular formula C28H59N3O and a molecular weight of 453.80 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
PubChem CID163560284
Molecular FormulaC28H59N3O
Molecular Weight453.80 g/mol
Exact Mass453.47
IUPAC Name4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol
SMILESCC(C)N1CCC(CO)CC1.CC1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H19NO.C9H19N/c1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-9(3)5-7-10/h9-10H,4-8H2,1-3H3;8-9,11H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3
InChIKeyFQQQSWHUIJZLMT-UHFFFAOYSA-N
XLogP5.74
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.80
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol with MolForge

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Related Compounds

(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
deca-1,3,5,7,9-pentayne;4-ethyl-1-propan-2-ylpiperidine
CID 167581175
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
[1-(1-sulfanylethyl)piperidin-4-yl]methanol
CID 138616110
4-ethyl-1-(1-propan-2-ylpiperidin-4-yl)sulfanylpiperidine
CID 176984811
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
CID 161459747
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
CID 167480439
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol?
The IUPAC name of 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol (CID 163560284) is 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol.
What is the SMILES notation for 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol?
The canonical SMILES for 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol is CC(C)N1CCC(CO)CC1.CC1CCN(C(C)C)CC1.CCC1CCN(C(C)C)CC1.
What is the InChIKey of 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol?
The InChIKey is FQQQSWHUIJZLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H19NO.C9H19N/c1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-9(3)5-7-10/h9-10H,4-8H2,1-3H3;8-9,11H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3.
What are the key properties of 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol?
4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol has a molecular weight of 453.80 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-ylpiperidine;4-methyl-1-propan-2-ylpiperidine;(1-propan-2-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 163560284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).