(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid

C15H22N2O2 — CID 71268606

IUPAC(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
SMILESCC1(CNC(=O)O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(12-16-14(18)19)7-9-17(10-8-15)11-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3,(H,18,19)
InChIKeyZNYBTCSBGRVDAK-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.56
Rot. Bonds4

About (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid

(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid (PubChem CID 71268606) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid.

Molecular Properties

Compound Name(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
PubChem CID71268606
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
SMILESCC1(CNC(=O)O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(12-16-14(18)19)7-9-17(10-8-15)11-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3,(H,18,19)
InChIKeyZNYBTCSBGRVDAK-UHFFFAOYSA-N
XLogP2.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 130485423
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 126807065
N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 166179274
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-benzylpiperazin-1-yl)ethanone;dihydrochloride
CID 120772368
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
2-(1-benzyl-4-methylpiperidin-4-yl)acetonitrile;ethane
CID 145395092
ethyl 3-[(1-benzyl-4-methylpiperidine-4-carbonyl)amino]propanoate
CID 75455716
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]benzamide
CID 20694800

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid?
The IUPAC name of (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid (CID 71268606) is (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid.
What is the SMILES notation for (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid?
The canonical SMILES for (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid is CC1(CNC(=O)O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid?
The InChIKey is ZNYBTCSBGRVDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(12-16-14(18)19)7-9-17(10-8-15)11-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3,(H,18,19).
What are the key properties of (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid?
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid has a molecular weight of 262.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid is sourced from PubChem (CID 71268606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).