(3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid

C12H21NO2 — CID 127032654

IUPAC(3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid
SMILESC=CCCCC[C@H]1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-10-7-8-13-9-11(10)12(14)15/h2,10-11,13H,1,3-9H2,(H,14,15)/t10-,11-/m0/s1
InChIKeyVNJOUVPMXNMMRO-QWRGUYRKSA-N
MW211.30 g/mol
LogP2.04
Rot. Bonds6

About (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid

(3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid (PubChem CID 127032654) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid
PubChem CID127032654
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid
SMILESC=CCCCC[C@H]1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C12H21NO2/c1-2-3-4-5-6-10-7-8-13-9-11(10)12(14)15/h2,10-11,13H,1,3-9H2,(H,14,15)/t10-,11-/m0/s1
InChIKeyVNJOUVPMXNMMRO-QWRGUYRKSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-4-butylpiperidine-3-carboxylic acid
CID 127029855
(3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid
CID 127032319
(2,3'-Bipiperidine)-5'-carboxylic acid, 1'-(3-butenyl)-, (2R,3'S,5'R)-
CID 157981
[(3R,4S)-3-Ethenylpiperidin-4-yl]acetic acid
CID 12312757
3-Piperidyl-3-vinyl-7-octenecarboxylic acid
CID 129811575
3-Piperidyl-3-vinyl-7-octenoic acid
CID 129811900
3-(3-Vinyl-4-piperidinyl)propanoic acid
CID 24973475
2-(3-Ethenylpiperidin-4-yl)acetic acid
CID 12312755
2-[(3R,4S)-3-ethenylpiperidin-4-yl]acetic acid hydrochloride
CID 12312756
2-[(3S,4S)-3-ethenylpiperidin-4-yl]acetic acid
CID 22813413
4-Cyclohex-3-en-1-yl-1-prop-2-enylpiperidine-3-carboxylic acid
CID 54522340
2-Piperidin-2-ylbut-3-enoic acid
CID 67586300

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid (CID 127032654) is (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid is C=CCCCC[C@H]1CCNC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid?
The InChIKey is VNJOUVPMXNMMRO-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-3-4-5-6-10-7-8-13-9-11(10)12(14)15/h2,10-11,13H,1,3-9H2,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid?
(3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid is sourced from PubChem (CID 127032654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).