(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol

C19H24N2O — CID 67312130

IUPAC(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol
SMILESCc1ccccc1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C19H24N2O/c1-15-7-5-6-10-17(15)20-18-11-12-21(14-19(18)22)13-16-8-3-2-4-9-16/h2-10,18-20,22H,11-14H2,1H3/t18-,19-/m0/s1
InChIKeyGTIZLMAWVMOXFD-OALUTQOASA-N
MW296.41 g/mol
LogP3.04
Rot. Bonds4

About (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol

(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol (PubChem CID 67312130) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol
PubChem CID67312130
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol
SMILESCc1ccccc1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1O
InChIInChI=1S/C19H24N2O/c1-15-7-5-6-10-17(15)20-18-11-12-21(14-19(18)22)13-16-8-3-2-4-9-16/h2-10,18-20,22H,11-14H2,1H3/t18-,19-/m0/s1
InChIKeyGTIZLMAWVMOXFD-OALUTQOASA-N
XLogP3.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-anilino-1-benzylpyrrolidin-3-ol
CID 59394921
1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2-methylphenyl)thiourea
CID 8657958
1-benzyl-4-(1-phenylbutylamino)piperidin-3-ol
CID 67312540
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
(3S)-1-benzyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 93490302
(3R,4R)-1-benzyl-4-phenylpiperidin-3-ol
CID 54282589
N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133026
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
1-benzyl-4-methylpiperidin-3-ol;methanesulfonic acid
CID 87886924
(3R,4R)-1-benzyl-4-(butylamino)pyrrolidin-3-ol
CID 24783882

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol?
The IUPAC name of (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol (CID 67312130) is (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol?
The canonical SMILES for (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol is Cc1ccccc1N[C@H]1CCN(Cc2ccccc2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol?
The InChIKey is GTIZLMAWVMOXFD-OALUTQOASA-N. The full InChI is InChI=1S/C19H24N2O/c1-15-7-5-6-10-17(15)20-18-11-12-21(14-19(18)22)13-16-8-3-2-4-9-16/h2-10,18-20,22H,11-14H2,1H3/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol?
(3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol has a molecular weight of 296.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-4-(2-methylanilino)piperidin-3-ol is sourced from PubChem (CID 67312130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).