(2S)-1-butyl-2-(furan-2-yl)piperidine

C13H21NO — CID 124500858

IUPAC(2S)-1-butyl-2-(furan-2-yl)piperidine
SMILESCCCCN1CCCC[C@H]1c1ccco1
InChIInChI=1S/C13H21NO/c1-2-3-9-14-10-5-4-7-12(14)13-8-6-11-15-13/h6,8,11-12H,2-5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyHTLJCKNFRYGEJW-LBPRGKRZSA-N
MW207.32 g/mol
LogP3.61
Rot. Bonds4

About (2S)-1-butyl-2-(furan-2-yl)piperidine

(2S)-1-butyl-2-(furan-2-yl)piperidine (PubChem CID 124500858) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2S)-1-butyl-2-(furan-2-yl)piperidine.

Molecular Properties

Compound Name(2S)-1-butyl-2-(furan-2-yl)piperidine
PubChem CID124500858
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2S)-1-butyl-2-(furan-2-yl)piperidine
SMILESCCCCN1CCCC[C@H]1c1ccco1
InChIInChI=1S/C13H21NO/c1-2-3-9-14-10-5-4-7-12(14)13-8-6-11-15-13/h6,8,11-12H,2-5,7,9-10H2,1H3/t12-/m0/s1
InChIKeyHTLJCKNFRYGEJW-LBPRGKRZSA-N
XLogP3.61
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(furan-2-yl)-1-propylpiperidine
CID 124500851
(2R)-2-(furan-2-yl)-1-(2-methylpropyl)piperidine
CID 124500855
1-butyl-2-phenylpiperidine
CID 10036306
3-[2-(furan-2-yl)pyrrolidin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 91837582
methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349
(2S)-2-(furan-2-yl)-1-methylpyrrolidine
CID 24894514
1-butyl-2-thiophen-2-ylpiperidine
CID 102544362
(2S)-2-(furan-2-yl)-1-propan-2-ylpiperidine
CID 124500854
2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]acetic acid
CID 42575452
(2S)-1-[(2S)-2-(furan-2-yl)azepan-1-yl]-3-methoxypropan-2-ol
CID 124616125
5-(1-butylpiperidin-2-yl)-N,6-dimethylpyridin-2-amine
CID 102543119
3-(1-butylpiperidin-2-yl)-N-methylpyridin-2-amine
CID 102539762

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butyl-2-(furan-2-yl)piperidine?
The IUPAC name of (2S)-1-butyl-2-(furan-2-yl)piperidine (CID 124500858) is (2S)-1-butyl-2-(furan-2-yl)piperidine.
What is the SMILES notation for (2S)-1-butyl-2-(furan-2-yl)piperidine?
The canonical SMILES for (2S)-1-butyl-2-(furan-2-yl)piperidine is CCCCN1CCCC[C@H]1c1ccco1.
What is the InChIKey of (2S)-1-butyl-2-(furan-2-yl)piperidine?
The InChIKey is HTLJCKNFRYGEJW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-9-14-10-5-4-7-12(14)13-8-6-11-15-13/h6,8,11-12H,2-5,7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-butyl-2-(furan-2-yl)piperidine?
(2S)-1-butyl-2-(furan-2-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butyl-2-(furan-2-yl)piperidine is sourced from PubChem (CID 124500858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).