1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane

C21H42N2O — CID 170952642

IUPAC1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane
SMILESCC(C)N1CCN(C)CC1.CCCC1(COC2CCCCC2)CC1
InChIInChI=1S/C13H24O.C8H18N2/c1-2-8-13(9-10-13)11-14-12-6-4-3-5-7-12;1-8(2)10-6-4-9(3)5-7-10/h12H,2-11H2,1H3;8H,4-7H2,1-3H3
InChIKeyMRSHOJREUZVCDM-UHFFFAOYSA-N
MW338.58 g/mol
LogP4.56
Rot. Bonds6

About 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane

1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane (PubChem CID 170952642) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane
PubChem CID170952642
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane
SMILESCC(C)N1CCN(C)CC1.CCCC1(COC2CCCCC2)CC1
InChIInChI=1S/C13H24O.C8H18N2/c1-2-8-13(9-10-13)11-14-12-6-4-3-5-7-12;1-8(2)10-6-4-9(3)5-7-10/h12H,2-11H2,1H3;8H,4-7H2,1-3H3
InChIKeyMRSHOJREUZVCDM-UHFFFAOYSA-N
XLogP4.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
4-cyclohexyl-1-propyl-1-[(4-propylcyclohexyl)oxymethyl]cyclohexane
CID 175597724
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174275638
1-methyl-4-propoxyazonane
CID 134172223
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 170629653
N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine
CID 166118635
[1-(bromomethyl)cyclopentyl]methoxycycloheptane
CID 65001141
N-[(1-propylcyclopropyl)methyl]cyclohexanamine
CID 115696304
4-[(3-methyloxetan-3-yl)methoxy]-1-propan-2-ylpiperidine
CID 58873378

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane?
The IUPAC name of 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane (CID 170952642) is 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane.
What is the SMILES notation for 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane?
The canonical SMILES for 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane is CC(C)N1CCN(C)CC1.CCCC1(COC2CCCCC2)CC1.
What is the InChIKey of 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane?
The InChIKey is MRSHOJREUZVCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C8H18N2/c1-2-8-13(9-10-13)11-14-12-6-4-3-5-7-12;1-8(2)10-6-4-9(3)5-7-10/h12H,2-11H2,1H3;8H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane?
1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane has a molecular weight of 338.58 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpiperazine;(1-propylcyclopropyl)methoxycyclohexane is sourced from PubChem (CID 170952642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).