[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride

C13H20BrClN2 — CID 119916130

IUPAC[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2.ClH/c14-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-15;/h4-7,13H,1-3,8-10,15H2;1H
InChIKeyGXXWKMIMRUXKCS-UHFFFAOYSA-N
MW319.67 g/mol
LogP3.18
Rot. Bonds3

About [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride

[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride (PubChem CID 119916130) has the molecular formula C13H20BrClN2 and a molecular weight of 319.67 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
PubChem CID119916130
Molecular FormulaC13H20BrClN2
Molecular Weight319.67 g/mol
Exact Mass318.05
IUPAC Name[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCCN1Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2.ClH/c14-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-15;/h4-7,13H,1-3,8-10,15H2;1H
InChIKeyGXXWKMIMRUXKCS-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.67
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
2-(bromomethyl)-1-[(4-bromophenyl)methyl]azepane
CID 116638469
(2S)-1-[(4-bromophenyl)methyl]-2-ethylpiperidine
CID 95356235
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 114077036
[1-[(3-bromophenyl)methyl]piperidin-2-yl]methanamine
CID 43187044
[(2S)-1-[(4-iodophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 90478034
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 14709038
N-[[1-[(4-bromophenyl)methyl]piperidin-2-yl]methyl]ethanamine
CID 55220031
[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 115741342

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride (CID 119916130) is [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCCN1Cc1ccc(Br)cc1.
What is the InChIKey of [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
The InChIKey is GXXWKMIMRUXKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2.ClH/c14-12-6-4-11(5-7-12)10-16-8-2-1-3-13(16)9-15;/h4-7,13H,1-3,8-10,15H2;1H.
What are the key properties of [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride?
[1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride has a molecular weight of 319.67 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119916130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).