[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid

C14H20N2O3 — CID 68520665

IUPAC[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
SMILESCO[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)O
InChIInChI=1S/C14H20N2O3/c1-19-13-10-16(8-7-12(13)15-14(17)18)9-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyQEZPISUPRNAMFD-CHWSQXEVSA-N
MW264.32 g/mol
LogP1.54
Rot. Bonds4

About [(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid

[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid (PubChem CID 68520665) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
PubChem CID68520665
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid
SMILESCO[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)O
InChIInChI=1S/C14H20N2O3/c1-19-13-10-16(8-7-12(13)15-14(17)18)9-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3,(H,17,18)/t12-,13-/m1/s1
InChIKeyQEZPISUPRNAMFD-CHWSQXEVSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
4-amino-N-(1-benzyl-3-methoxypiperidin-4-yl)-5-cyano-2-methoxybenzamide
CID 19883490
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345
N-[(3S,4R)-1-benzyl-3-methylpiperidin-4-yl]-3-methoxypropanamide
CID 98773554
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
methyl 1-[[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamoyl]cyclopropane-1-carboxylate
CID 124845729
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
CID 90406485
methyl 2-[(3S,4S)-1-benzyl-3-(methylamino)piperidin-4-yl]acetate
CID 59110298

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid?
The IUPAC name of [(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid (CID 68520665) is [(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid.
What is the SMILES notation for [(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid?
The canonical SMILES for [(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid is CO[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)O.
What is the InChIKey of [(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid?
The InChIKey is QEZPISUPRNAMFD-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-19-13-10-16(8-7-12(13)15-14(17)18)9-11-5-3-2-4-6-11/h2-6,12-13,15H,7-10H2,1H3,(H,17,18)/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid?
[(3R,4R)-1-benzyl-3-methoxypiperidin-4-yl]carbamic acid has a molecular weight of 264.32 g/mol, XLogP of 1.54, 4 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-methoxypiperidin-4-yl]carbamic acid is sourced from PubChem (CID 68520665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).