amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol

C15H31N3O — CID 142001342

IUPACamino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol
SMILESCCC1CCCN(C[C@H]2CCCC(NC(N)O)C2)C1
InChIInChI=1S/C15H31N3O/c1-2-12-6-4-8-18(10-12)11-13-5-3-7-14(9-13)17-15(16)19/h12-15,17,19H,2-11,16H2,1H3/t12?,13-,14?,15?/m0/s1
InChIKeyZAUYNEZGMVCNTC-IBLUKRHDSA-N
MW269.43 g/mol
LogP1.49
Rot. Bonds5

About amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol

amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol (PubChem CID 142001342) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol.

Molecular Properties

Compound Nameamino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol
PubChem CID142001342
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Nameamino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol
SMILESCCC1CCCN(C[C@H]2CCCC(NC(N)O)C2)C1
InChIInChI=1S/C15H31N3O/c1-2-12-6-4-8-18(10-12)11-13-5-3-7-14(9-13)17-15(16)19/h12-15,17,19H,2-11,16H2,1H3/t12?,13-,14?,15?/m0/s1
InChIKeyZAUYNEZGMVCNTC-IBLUKRHDSA-N
XLogP1.49
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(cyclobutylmethyl)-3-ethylpiperidine
CID 143174975
(2S)-1-(3-ethylpiperidin-1-yl)propan-2-amine
CID 103934495
3-ethyl-1-[(4-fluorocyclohexyl)methyl]piperidine
CID 163155823
4-(3-ethylpiperidin-1-yl)butan-2-amine
CID 43584476
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
4-ethyl-2-[(3-ethylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 62616464
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993289
2-[(3R)-3-ethylpiperidin-1-yl]ethanamine
CID 93187820
N-(cyclobutylmethyl)-1-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83997430
1-(3-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-amine
CID 62624076
3-[(3-ethylcyclohexyl)amino]-4-methylpentan-1-ol
CID 115656026
6-(3-ethylpiperidin-1-yl)hexan-3-ol
CID 106802295

Frequently Asked Questions

What is the IUPAC name of amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol?
The IUPAC name of amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol (CID 142001342) is amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol.
What is the SMILES notation for amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol?
The canonical SMILES for amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol is CCC1CCCN(C[C@H]2CCCC(NC(N)O)C2)C1.
What is the InChIKey of amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol?
The InChIKey is ZAUYNEZGMVCNTC-IBLUKRHDSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-12-6-4-8-18(10-12)11-13-5-3-7-14(9-13)17-15(16)19/h12-15,17,19H,2-11,16H2,1H3/t12?,13-,14?,15?/m0/s1.
What are the key properties of amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol?
amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol has a molecular weight of 269.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol is sourced from PubChem (CID 142001342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).