2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine

C17H33N3O — CID 155150895

IUPAC2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
SMILESCN1CCC[C@H]1COC1CCNC(C2CCCCC2)C1N
InChIInChI=1S/C17H33N3O/c1-20-11-5-8-14(20)12-21-15-9-10-19-17(16(15)18)13-6-3-2-4-7-13/h13-17,19H,2-12,18H2,1H3/t14-,15?,16?,17?/m0/s1
InChIKeyLQLVARQFWVZINM-HERJZLIOSA-N
MW295.47 g/mol
LogP1.74
Rot. Bonds4

About 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine

2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine (PubChem CID 155150895) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine.

Molecular Properties

Compound Name2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
PubChem CID155150895
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine
SMILESCN1CCC[C@H]1COC1CCNC(C2CCCCC2)C1N
InChIInChI=1S/C17H33N3O/c1-20-11-5-8-14(20)12-21-15-9-10-19-17(16(15)18)13-6-3-2-4-7-13/h13-17,19H,2-12,18H2,1H3/t14-,15?,16?,17?/m0/s1
InChIKeyLQLVARQFWVZINM-HERJZLIOSA-N
XLogP1.74
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
The IUPAC name of 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine (CID 155150895) is 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine.
What is the SMILES notation for 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
The canonical SMILES for 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine is CN1CCC[C@H]1COC1CCNC(C2CCCCC2)C1N.
What is the InChIKey of 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
The InChIKey is LQLVARQFWVZINM-HERJZLIOSA-N. The full InChI is InChI=1S/C17H33N3O/c1-20-11-5-8-14(20)12-21-15-9-10-19-17(16(15)18)13-6-3-2-4-7-13/h13-17,19H,2-12,18H2,1H3/t14-,15?,16?,17?/m0/s1.
What are the key properties of 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine?
2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine has a molecular weight of 295.47 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]piperidin-3-amine is sourced from PubChem (CID 155150895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).