(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol

C16H26N2O — CID 124739387

IUPAC(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
SMILESC[C@@H]1CN(C)[C@H](C)C[C@H]1NC[C@@H](O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-12-11-18(3)13(2)9-15(12)17-10-16(19)14-7-5-4-6-8-14/h4-8,12-13,15-17,19H,9-11H2,1-3H3/t12-,13-,15-,16-/m1/s1
InChIKeySMTBDCPVJUDWCE-RRCSTGOVSA-N
MW262.40 g/mol
LogP2.04
Rot. Bonds4

About (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol

(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol (PubChem CID 124739387) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
PubChem CID124739387
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
SMILESC[C@@H]1CN(C)[C@H](C)C[C@H]1NC[C@@H](O)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-12-11-18(3)13(2)9-15(12)17-10-16(19)14-7-5-4-6-8-14/h4-8,12-13,15-17,19H,9-11H2,1-3H3/t12-,13-,15-,16-/m1/s1
InChIKeySMTBDCPVJUDWCE-RRCSTGOVSA-N
XLogP2.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol with MolForge

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Related Compounds

N,N-dimethyl-1-phenyl-N'-(1,2,5-trimethylpiperidin-4-yl)ethane-1,2-diamine
CID 43665443
(2S)-1-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
CID 103906573
(2S)-1-[[(2R,4R,5S)-1,2,5-trimethylpiperidin-4-yl]amino]propan-2-ol
CID 124526610
1,2,5-trimethyl-N-(1-phenylpropyl)piperidin-4-amine
CID 62305036
N-[cyclopropyl(phenyl)methyl]-1,2,5-trimethylpiperidin-4-amine
CID 43724333
N-(2,2-dimethyl-1-phenylpropyl)-1,2,5-trimethylpiperidin-4-amine
CID 43693331
2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]-1-phenylethanol
CID 115706037
1-(4-fluorophenyl)-2-[(2-methylcyclopropyl)amino]ethanol
CID 62397151
2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
CID 115335546
N-(furan-2-ylmethyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665299
2-[[(2R,4S,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol
CID 93258534
2-[(1-benzyl-4-methylpiperidin-3-yl)amino]-1-(4-methylphenyl)ethanol
CID 75444912

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol?
The IUPAC name of (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol (CID 124739387) is (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol.
What is the SMILES notation for (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol?
The canonical SMILES for (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol is C[C@@H]1CN(C)[C@H](C)C[C@H]1NC[C@@H](O)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol?
The InChIKey is SMTBDCPVJUDWCE-RRCSTGOVSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-11-18(3)13(2)9-15(12)17-10-16(19)14-7-5-4-6-8-14/h4-8,12-13,15-17,19H,9-11H2,1-3H3/t12-,13-,15-,16-/m1/s1.
What are the key properties of (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol?
(1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol has a molecular weight of 262.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-2-[[(2R,4R,5R)-1,2,5-trimethylpiperidin-4-yl]amino]ethanol is sourced from PubChem (CID 124739387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).