[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol

C14H22N2O — CID 129426999

IUPAC[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
SMILESCN[C@H]1CCN(Cc2ccccc2)C[C@H]1CO
InChIInChI=1S/C14H22N2O/c1-15-14-7-8-16(10-13(14)11-17)9-12-5-3-2-4-6-12/h2-6,13-15,17H,7-11H2,1H3/t13-,14-/m0/s1
InChIKeyAFILRTQJTZQUQW-KBPBESRZSA-N
MW234.34 g/mol
LogP1.09
Rot. Bonds4

About [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol

[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol (PubChem CID 129426999) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
PubChem CID129426999
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
SMILESCN[C@H]1CCN(Cc2ccccc2)C[C@H]1CO
InChIInChI=1S/C14H22N2O/c1-15-14-7-8-16(10-13(14)11-17)9-12-5-3-2-4-6-12/h2-6,13-15,17H,7-11H2,1H3/t13-,14-/m0/s1
InChIKeyAFILRTQJTZQUQW-KBPBESRZSA-N
XLogP1.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
CID 97177578
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079
[1-benzyl-4-(cyclopropylamino)pyrrolidin-3-yl]methanol
CID 83870823
[(3R,4S)-1-benzyl-4-(2-methylphenyl)piperidin-3-yl]methanol
CID 141122273
methyl 2-[(3S,4S)-1-benzyl-3-(methylamino)piperidin-4-yl]acetate
CID 59110298
[(3S,4S)-1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-3-yl]methanol
CID 98790961
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol (CID 129426999) is [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol is CN[C@H]1CCN(Cc2ccccc2)C[C@H]1CO.
What is the InChIKey of [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol?
The InChIKey is AFILRTQJTZQUQW-KBPBESRZSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-14-7-8-16(10-13(14)11-17)9-12-5-3-2-4-6-12/h2-6,13-15,17H,7-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol?
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol has a molecular weight of 234.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol is sourced from PubChem (CID 129426999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).