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

C15H24N2O — CID 97177578

IUPAC[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
SMILESCCN[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO
InChIInChI=1S/C15H24N2O/c1-2-16-15-11-17(9-8-14(15)12-18)10-13-6-4-3-5-7-13/h3-7,14-16,18H,2,8-12H2,1H3/t14-,15+/m1/s1
InChIKeyFIMFRDJROGUFBE-CABCVRRESA-N
MW248.37 g/mol
LogP1.48
Rot. Bonds5

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

[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol (PubChem CID 97177578) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
PubChem CID97177578
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol
SMILESCCN[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO
InChIInChI=1S/C15H24N2O/c1-2-16-15-11-17(9-8-14(15)12-18)10-13-6-4-3-5-7-13/h3-7,14-16,18H,2,8-12H2,1H3/t14-,15+/m1/s1
InChIKeyFIMFRDJROGUFBE-CABCVRRESA-N
XLogP1.48
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 71633079
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
CID 129426897
[(3R,4S)-1-benzyl-3-[(6-methoxy-3-pyridinyl)methylamino]piperidin-4-yl]methanol
CID 97307269
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
(3R,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-ol
CID 15450831
[(3R,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
CID 98775527
N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3,3-difluorobutanamide
CID 125138738
1-benzyl-3-(hydroxymethyl)piperidin-4-ol;methanol
CID 158581006
N-[1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 110000354
N-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-4-methylthiophene-3-carboxamide
CID 98854261
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol?
The IUPAC name of [(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol (CID 97177578) is [(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol is CCN[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO.
What is the InChIKey of [(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol?
The InChIKey is FIMFRDJROGUFBE-CABCVRRESA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-16-15-11-17(9-8-14(15)12-18)10-13-6-4-3-5-7-13/h3-7,14-16,18H,2,8-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of [(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol?
[(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-benzyl-3-(ethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 97177578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).