(1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

C15H30N2 — CID 120848749

IUPAC(1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESC[C@@H](C1CCCCC1)N(C)CC1CCNCC1
InChIInChI=1S/C15H30N2/c1-13(15-6-4-3-5-7-15)17(2)12-14-8-10-16-11-9-14/h13-16H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyUNSBUOUCCCRHMS-ZDUSSCGKSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds4

About (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine

(1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 120848749) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID120848749
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name(1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
SMILESC[C@@H](C1CCCCC1)N(C)CC1CCNCC1
InChIInChI=1S/C15H30N2/c1-13(15-6-4-3-5-7-15)17(2)12-14-8-10-16-11-9-14/h13-16H,3-12H2,1-2H3/t13-/m0/s1
InChIKeyUNSBUOUCCCRHMS-ZDUSSCGKSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120857850
1-cyclopentyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79715112
N,3-dimethyl-N-(piperidin-4-ylmethyl)butan-2-amine
CID 43570215
N,2-dimethyl-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 79707694
N-(1-cyclopropylethyl)-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79715152
1-cyclopentyl-N,N-dimethyl-2-piperidin-4-ylethanamine
CID 116906903
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
N-methyl-N-(piperidin-4-ylmethyl)heptan-2-amine
CID 80558048
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N,N-dimethyl-1-piperidin-4-ylmethanamine;dihydrochloride
CID 23153381
N-methyl-N-(piperidin-4-ylmethyl)thiohydroxylamine
CID 130458996

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine (CID 120848749) is (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is C[C@@H](C1CCCCC1)N(C)CC1CCNCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is UNSBUOUCCCRHMS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2/c1-13(15-6-4-3-5-7-15)17(2)12-14-8-10-16-11-9-14/h13-16H,3-12H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine?
(1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-methyl-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 120848749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).