(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine

C12H17BrN2 — CID 24904438

IUPAC(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2/c13-12-6-2-1-4-10(12)8-15-7-3-5-11(14)9-15/h1-2,4,6,11H,3,5,7-9,14H2/t11-/m0/s1
InChIKeyYSEBLSWFGARBGE-NSHDSACASA-N
MW269.19 g/mol
LogP2.37
Rot. Bonds2

About (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine

(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine (PubChem CID 24904438) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
PubChem CID24904438
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
SMILESN[C@H]1CCCN(Cc2ccccc2Br)C1
InChIInChI=1S/C12H17BrN2/c13-12-6-2-1-4-10(12)8-15-7-3-5-11(14)9-15/h1-2,4,6,11H,3,5,7-9,14H2/t11-/m0/s1
InChIKeyYSEBLSWFGARBGE-NSHDSACASA-N
XLogP2.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(2-bromophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53256252
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654
3-(bromomethyl)-1-[(2-bromophenyl)methyl]piperidine
CID 80679308
3-bromo-1-[(2-bromophenyl)methyl]piperidine
CID 80679518
[(3S)-1-[(2-bromophenyl)methyl]piperidin-3-yl]methanol
CID 40514210
2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine
CID 63388518
1-[(2-bromo-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910188
1-[(2-bromophenyl)methyl]piperidine-3-carbaldehyde
CID 62662381
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine (CID 24904438) is (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine is N[C@H]1CCCN(Cc2ccccc2Br)C1.
What is the InChIKey of (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine?
The InChIKey is YSEBLSWFGARBGE-NSHDSACASA-N. The full InChI is InChI=1S/C12H17BrN2/c13-12-6-2-1-4-10(12)8-15-7-3-5-11(14)9-15/h1-2,4,6,11H,3,5,7-9,14H2/t11-/m0/s1.
What are the key properties of (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine?
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine has a molecular weight of 269.19 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 24904438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).