2-(4-benzylpiperidin-1-yl)ethylcarbamic acid

C15H22N2O2 — CID 166653471

IUPAC2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
SMILESO=C(O)NCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c18-15(19)16-8-11-17-9-6-14(7-10-17)12-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2,(H,18,19)
InChIKeyCFZZLLLGRGFOQZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.21
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid

2-(4-benzylpiperidin-1-yl)ethylcarbamic acid (PubChem CID 166653471) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
PubChem CID166653471
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
SMILESO=C(O)NCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c18-15(19)16-8-11-17-9-6-14(7-10-17)12-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2,(H,18,19)
InChIKeyCFZZLLLGRGFOQZ-UHFFFAOYSA-N
XLogP2.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016578
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
3,5-diamino-N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-chloropyrazine-2-carboxamide
CID 86656628
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
CID 53211570
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815798
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
CID 122188780
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
5-N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353919
5-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 18621443

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid (CID 166653471) is 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid is O=C(O)NCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid?
The InChIKey is CFZZLLLGRGFOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15(19)16-8-11-17-9-6-14(7-10-17)12-13-4-2-1-3-5-13/h1-5,14,16H,6-12H2,(H,18,19).
What are the key properties of 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid?
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid has a molecular weight of 262.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)ethylcarbamic acid is sourced from PubChem (CID 166653471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).