(3S)-3-(3-bromophenyl)-1-propylpiperidine

C14H20BrN — CID 10356389

IUPAC(3S)-3-(3-bromophenyl)-1-propylpiperidine
SMILESCCCN1CCC[C@@H](c2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrN/c1-2-8-16-9-4-6-13(11-16)12-5-3-7-14(15)10-12/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyYHPPFQXIQZIMOW-CYBMUJFWSA-N
MW282.22 g/mol
LogP4.04
Rot. Bonds3

About (3S)-3-(3-bromophenyl)-1-propylpiperidine

(3S)-3-(3-bromophenyl)-1-propylpiperidine (PubChem CID 10356389) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is (3S)-3-(3-bromophenyl)-1-propylpiperidine.

Molecular Properties

Compound Name(3S)-3-(3-bromophenyl)-1-propylpiperidine
PubChem CID10356389
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name(3S)-3-(3-bromophenyl)-1-propylpiperidine
SMILESCCCN1CCC[C@@H](c2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrN/c1-2-8-16-9-4-6-13(11-16)12-5-3-7-14(15)10-12/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
InChIKeyYHPPFQXIQZIMOW-CYBMUJFWSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-2-bromophenylethylamine
CID 151465
4-Phenyl-1-propylpiperidine
CID 203697
(S)-3-Phenyl-1-propyl-piperidine
CID 10330528
(S)-1-Propyl-3-m-tolyl-piperidine
CID 10420915
1-(3-Phenylbutyl)piperidine
CID 11218224
Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
4-Benzyl-1-(2-bromobenzyl)piperidine
CID 791158
4-(3-Bromo-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine
CID 23343659
4-[(E)-2-(4-bromophenyl)ethenyl]-1-prop-2-ynylpiperidine
CID 134385635
3-bromo-N,N-dimethylBenzeneethanamine
CID 18367548
Piperidine, 1-methyl-4-phenyl-
CID 202391

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-bromophenyl)-1-propylpiperidine?
The IUPAC name of (3S)-3-(3-bromophenyl)-1-propylpiperidine (CID 10356389) is (3S)-3-(3-bromophenyl)-1-propylpiperidine.
What is the SMILES notation for (3S)-3-(3-bromophenyl)-1-propylpiperidine?
The canonical SMILES for (3S)-3-(3-bromophenyl)-1-propylpiperidine is CCCN1CCC[C@@H](c2cccc(Br)c2)C1.
What is the InChIKey of (3S)-3-(3-bromophenyl)-1-propylpiperidine?
The InChIKey is YHPPFQXIQZIMOW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20BrN/c1-2-8-16-9-4-6-13(11-16)12-5-3-7-14(15)10-12/h3,5,7,10,13H,2,4,6,8-9,11H2,1H3/t13-/m1/s1.
What are the key properties of (3S)-3-(3-bromophenyl)-1-propylpiperidine?
(3S)-3-(3-bromophenyl)-1-propylpiperidine has a molecular weight of 282.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-bromophenyl)-1-propylpiperidine is sourced from PubChem (CID 10356389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).