3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine

C25H42N2O2 — CID 123870665

IUPAC3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine
SMILESCOCCCOC(c1ccccc1)C1CCCN(C(CN)CC2CCCCC2)C1
InChIInChI=1S/C25H42N2O2/c1-28-16-9-17-29-25(22-12-6-3-7-13-22)23-14-8-15-27(20-23)24(19-26)18-21-10-4-2-5-11-21/h3,6-7,12-13,21,23-25H,2,4-5,8-11,14-20,26H2,1H3
InChIKeyLMTZMRVMRGJYKQ-UHFFFAOYSA-N
MW402.62 g/mol
LogP4.79
Rot. Bonds11

About 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine

3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine (PubChem CID 123870665) has the molecular formula C25H42N2O2 and a molecular weight of 402.62 g/mol. Its IUPAC name is 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine
PubChem CID123870665
Molecular FormulaC25H42N2O2
Molecular Weight402.62 g/mol
Exact Mass402.32
IUPAC Name3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine
SMILESCOCCCOC(c1ccccc1)C1CCCN(C(CN)CC2CCCCC2)C1
InChIInChI=1S/C25H42N2O2/c1-28-16-9-17-29-25(22-12-6-3-7-13-22)23-14-8-15-27(20-23)24(19-26)18-21-10-4-2-5-11-21/h3,6-7,12-13,21,23-25H,2,4-5,8-11,14-20,26H2,1H3
InChIKeyLMTZMRVMRGJYKQ-UHFFFAOYSA-N
XLogP4.79
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.62
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 143215087
3-amino-4-cyclohexyl-1-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]butan-2-one
CID 68721259
3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine
CID 141142686
3-[[(2S)-1-amino-3-cyclohexylpropan-2-yl]-methylamino]-4-[(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione
CID 87304087
3-[(1-amino-3-cyclohexylpropan-2-yl)amino]-4-[3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione
CID 87303382
3-[(1-amino-3-cyclohexylpropan-2-yl)amino]-4-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]cyclobut-3-ene-1,2-dione
CID 11720233
(2S)-3-cyclohexyl-2-N-[(E)-1-[(3R)-3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]-2-nitroethenyl]propane-1,2-diamine
CID 69470940
3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxylic acid
CID 66862259
(3R)-3-[3-methoxypropoxy(phenyl)methyl]piperidine-1-carbonyl chloride
CID 87303059
N-[(2R)-1-cyclohexylbutan-2-yl]-4-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]-1-oxido-1,2,5-thiadiazol-1-ium-3-imine
CID 173479698
(3R)-N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-3-[3-ethoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 67193802
(3R)-N-[1-cyclohexyl-3-(propylamino)propan-2-yl]-3-[(R)-3-methoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 67194545

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine (CID 123870665) is 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine is COCCCOC(c1ccccc1)C1CCCN(C(CN)CC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine?
The InChIKey is LMTZMRVMRGJYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O2/c1-28-16-9-17-29-25(22-12-6-3-7-13-22)23-14-8-15-27(20-23)24(19-26)18-21-10-4-2-5-11-21/h3,6-7,12-13,21,23-25H,2,4-5,8-11,14-20,26H2,1H3.
What are the key properties of 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine?
3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine has a molecular weight of 402.62 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 123870665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).