[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol

C16H26N2O — CID 129426897

IUPAC[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
SMILESCC(C)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO
InChIInChI=1S/C16H26N2O/c1-13(2)17-16-11-18(9-8-15(16)12-19)10-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyHURMVDAJJJYCJI-HOTGVXAUSA-N
MW262.40 g/mol
LogP1.87
Rot. Bonds5

About [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol

[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol (PubChem CID 129426897) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
PubChem CID129426897
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol
SMILESCC(C)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO
InChIInChI=1S/C16H26N2O/c1-13(2)17-16-11-18(9-8-15(16)12-19)10-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3/t15-,16-/m0/s1
InChIKeyHURMVDAJJJYCJI-HOTGVXAUSA-N
XLogP1.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.87
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,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,4S)-1-benzyl-4-(methylamino)piperidin-3-yl]methanol
CID 129426999
[2-[(1-benzylpyrrolidin-3-yl)amino]cyclopentyl]methanol
CID 103709861
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-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-5-chlorofuran-2-carboxamide
CID 97248022
(2S)-N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-(3-bromophenoxy)propanamide
CID 97064191

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol?
The IUPAC name of [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol (CID 129426897) is [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol?
The canonical SMILES for [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol is CC(C)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO.
What is the InChIKey of [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol?
The InChIKey is HURMVDAJJJYCJI-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)17-16-11-18(9-8-15(16)12-19)10-14-6-4-3-5-7-14/h3-7,13,15-17,19H,8-12H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol?
[(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol has a molecular weight of 262.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-benzyl-3-(propan-2-ylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 129426897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).