(3R,4S)-4-butylpiperidine-3-carboxylic acid

C10H19NO2 — CID 127029855

IUPAC(3R,4S)-4-butylpiperidine-3-carboxylic acid
SMILESCCCC[C@H]1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-2-3-4-8-5-6-11-7-9(8)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyIVVFKMYGWPWSIP-IUCAKERBSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds4

About (3R,4S)-4-butylpiperidine-3-carboxylic acid

(3R,4S)-4-butylpiperidine-3-carboxylic acid (PubChem CID 127029855) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R,4S)-4-butylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-butylpiperidine-3-carboxylic acid
PubChem CID127029855
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R,4S)-4-butylpiperidine-3-carboxylic acid
SMILESCCCC[C@H]1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C10H19NO2/c1-2-3-4-8-5-6-11-7-9(8)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)/t8-,9-/m0/s1
InChIKeyIVVFKMYGWPWSIP-IUCAKERBSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Mercaptomethyl)-3-(piperidin-3-yl)propanoic acid
CID 44440390
4-Piperidine butyric acid hydrochloride
CID 16217040
4-(Piperidin-4-yl)butanoic acid
CID 5167702
3-(3-Piperidinyl)propanoic acid hydrochloride
CID 12514714
Methyl 3-(piperidin-3-yl)propanoate hydrochloride
CID 47000746
2-(Piperidin-4-yl)propanoic acid hydrochloride
CID 47000778
2-((3R,4S)-3-ethylpiperidin-4-yl)acetic acid hydrochloride
CID 70501863
(3R,4S)-4-but-3-ynylpiperidine-3-carboxylic acid
CID 127032652
(3R,4S)-4-pent-4-ynylpiperidine-3-carboxylic acid
CID 127032653
(3R,4S)-4-hex-5-enylpiperidine-3-carboxylic acid
CID 127032654
3-(6-Oxopiperidin-3-yl)propanoic acid
CID 42609247
4,4-Dimethylpiperidine-3-carboxylic acid hydrochloride
CID 137951218

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-butylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-butylpiperidine-3-carboxylic acid (CID 127029855) is (3R,4S)-4-butylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-butylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-butylpiperidine-3-carboxylic acid is CCCC[C@H]1CCNC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-4-butylpiperidine-3-carboxylic acid?
The InChIKey is IVVFKMYGWPWSIP-IUCAKERBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-3-4-8-5-6-11-7-9(8)10(12)13/h8-9,11H,2-7H2,1H3,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of (3R,4S)-4-butylpiperidine-3-carboxylic acid?
(3R,4S)-4-butylpiperidine-3-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-butylpiperidine-3-carboxylic acid is sourced from PubChem (CID 127029855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).