2-benzylpiperidine;pentanoic acid

C17H27NO2 — CID 174412963

IUPAC2-benzylpiperidine;pentanoic acid
SMILESCCCCC(=O)O.c1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C12H17N.C5H10O2/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-3-4-5(6)7/h1-3,6-7,12-13H,4-5,8-10H2;2-4H2,1H3,(H,6,7)
InChIKeyUAWBFPBSNYNHIF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.63
Rot. Bonds5

About 2-benzylpiperidine;pentanoic acid

2-benzylpiperidine;pentanoic acid (PubChem CID 174412963) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-benzylpiperidine;pentanoic acid.

Molecular Properties

Compound Name2-benzylpiperidine;pentanoic acid
PubChem CID174412963
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-benzylpiperidine;pentanoic acid
SMILESCCCCC(=O)O.c1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C12H17N.C5H10O2/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-3-4-5(6)7/h1-3,6-7,12-13H,4-5,8-10H2;2-4H2,1H3,(H,6,7)
InChIKeyUAWBFPBSNYNHIF-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 64584615
(2S)-2-benzylazetidine;molecular hydrogen
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1-methoxynaphthalene;4-piperidin-2-ylbutanoic acid
CID 143873908
N-[3-(azepan-2-ylmethyl)phenyl]acetamide
CID 70141371
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 174644977
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
(2S)-2-benzyl-1,4-diazocane
CID 101486734
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632

Frequently Asked Questions

What is the IUPAC name of 2-benzylpiperidine;pentanoic acid?
The IUPAC name of 2-benzylpiperidine;pentanoic acid (CID 174412963) is 2-benzylpiperidine;pentanoic acid.
What is the SMILES notation for 2-benzylpiperidine;pentanoic acid?
The canonical SMILES for 2-benzylpiperidine;pentanoic acid is CCCCC(=O)O.c1ccc(CC2CCCCN2)cc1.
What is the InChIKey of 2-benzylpiperidine;pentanoic acid?
The InChIKey is UAWBFPBSNYNHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C5H10O2/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-3-4-5(6)7/h1-3,6-7,12-13H,4-5,8-10H2;2-4H2,1H3,(H,6,7).
What are the key properties of 2-benzylpiperidine;pentanoic acid?
2-benzylpiperidine;pentanoic acid has a molecular weight of 277.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylpiperidine;pentanoic acid is sourced from PubChem (CID 174412963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).