1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine

C17H33N — CID 178033502

IUPAC1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
SMILESCC(C)C1CCC(CCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N/c1-14(2)17-8-6-15(7-9-17)4-5-16-10-12-18(3)13-11-16/h14-17H,4-13H2,1-3H3
InChIKeyXNPYMHLPBLWKRW-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.57
Rot. Bonds4

About 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine

1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine (PubChem CID 178033502) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
PubChem CID178033502
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
SMILESCC(C)C1CCC(CCC2CCN(C)CC2)CC1
InChIInChI=1S/C17H33N/c1-14(2)17-8-6-15(7-9-17)4-5-16-10-12-18(3)13-11-16/h14-17H,4-13H2,1-3H3
InChIKeyXNPYMHLPBLWKRW-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-propan-2-yl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 154060378
N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 62704648
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
N-(dicyclopropylmethyl)-2-(1-methylpiperidin-4-yl)ethanamine
CID 115717378
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448828
1-(2-methylsulfanylethyl)-4-propan-2-ylcyclohexane
CID 146200730
(2R)-1-(1-methylpiperidin-4-yl)propan-2-ol
CID 130820619
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277
ethane;(3R)-1-methyl-3-propan-2-ylpyrrolidine
CID 176952918
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile
CID 142228000

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine?
The IUPAC name of 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine (CID 178033502) is 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine.
What is the SMILES notation for 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine?
The canonical SMILES for 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine is CC(C)C1CCC(CCC2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine?
The InChIKey is XNPYMHLPBLWKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-14(2)17-8-6-15(7-9-17)4-5-16-10-12-18(3)13-11-16/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine?
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine has a molecular weight of 251.46 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine is sourced from PubChem (CID 178033502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).