(4-bromophenyl)-piperidin-2-ylmethanamine

C12H17BrN2 — CID 116935638

IUPAC(4-bromophenyl)-piperidin-2-ylmethanamine
SMILESNC(c1ccc(Br)cc1)C1CCCCN1
InChIInChI=1S/C12H17BrN2/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h4-7,11-12,15H,1-3,8,14H2
InChIKeyAETPJHHLZGDFDH-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.59
Rot. Bonds2

About (4-bromophenyl)-piperidin-2-ylmethanamine

(4-bromophenyl)-piperidin-2-ylmethanamine (PubChem CID 116935638) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is (4-bromophenyl)-piperidin-2-ylmethanamine.

Molecular Properties

Compound Name(4-bromophenyl)-piperidin-2-ylmethanamine
PubChem CID116935638
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name(4-bromophenyl)-piperidin-2-ylmethanamine
SMILESNC(c1ccc(Br)cc1)C1CCCCN1
InChIInChI=1S/C12H17BrN2/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h4-7,11-12,15H,1-3,8,14H2
InChIKeyAETPJHHLZGDFDH-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636
(4-ethoxyphenyl)-piperidin-2-ylmethanamine
CID 116935668
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine
CID 116935656
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanamine
CID 82296425
5-[amino(piperidin-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 116935674
(2R)-2-[bis(4-propan-2-ylphenyl)methyl]piperidine
CID 59628791
(4-bromophenyl)-(2-ethylcyclohexyl)methanamine
CID 55251169
1-(4-bromophenyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106633301
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
(R)-(3-fluoro-4-methoxyphenyl)-[(2S)-pyrrolidin-2-yl]methanamine
CID 95446450
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
CID 116935433

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-piperidin-2-ylmethanamine?
The IUPAC name of (4-bromophenyl)-piperidin-2-ylmethanamine (CID 116935638) is (4-bromophenyl)-piperidin-2-ylmethanamine.
What is the SMILES notation for (4-bromophenyl)-piperidin-2-ylmethanamine?
The canonical SMILES for (4-bromophenyl)-piperidin-2-ylmethanamine is NC(c1ccc(Br)cc1)C1CCCCN1.
What is the InChIKey of (4-bromophenyl)-piperidin-2-ylmethanamine?
The InChIKey is AETPJHHLZGDFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-10-6-4-9(5-7-10)12(14)11-3-1-2-8-15-11/h4-7,11-12,15H,1-3,8,14H2.
What are the key properties of (4-bromophenyl)-piperidin-2-ylmethanamine?
(4-bromophenyl)-piperidin-2-ylmethanamine has a molecular weight of 269.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-piperidin-2-ylmethanamine is sourced from PubChem (CID 116935638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).