1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine

C19H25BrN2 — CID 174819017

IUPAC1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine
SMILESBrc1ccc(CN2CCCCC2)cc1.NCc1ccccc1
InChIInChI=1S/C12H16BrN.C7H9N/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;8-6-7-4-2-1-3-5-7/h4-7H,1-3,8-10H2;1-5H,6,8H2
InChIKeyQLMBFKFTDQUKSS-UHFFFAOYSA-N
MW361.33 g/mol
LogP4.58
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine

1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine (PubChem CID 174819017) has the molecular formula C19H25BrN2 and a molecular weight of 361.33 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine
PubChem CID174819017
Molecular FormulaC19H25BrN2
Molecular Weight361.33 g/mol
Exact Mass360.12
IUPAC Name1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine
SMILESBrc1ccc(CN2CCCCC2)cc1.NCc1ccccc1
InChIInChI=1S/C12H16BrN.C7H9N/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;8-6-7-4-2-1-3-5-7/h4-7H,1-3,8-10H2;1-5H,6,8H2
InChIKeyQLMBFKFTDQUKSS-UHFFFAOYSA-N
XLogP4.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzylazepane
CID 10954328
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
1-ethylpiperidine;phenylmethanamine
CID 174819379
1-benzyl-4-(4-bromophenyl)piperidin-4-amine
CID 72698436
1-benzylpyrrolidine;propane
CID 143692089
1-[(3-methoxyphenyl)methyl]piperidine;phenylmethanamine
CID 174819320
N-benzyl-1-phenylmethanamine;1-benzylpiperidine
CID 123620397
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[2-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
CID 16793650
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
2-[(4-bromophenyl)methyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 63457850
1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
CID 163358516

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine?
The IUPAC name of 1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine (CID 174819017) is 1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine is Brc1ccc(CN2CCCCC2)cc1.NCc1ccccc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine?
The InChIKey is QLMBFKFTDQUKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN.C7H9N/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;8-6-7-4-2-1-3-5-7/h4-7H,1-3,8-10H2;1-5H,6,8H2.
What are the key properties of 1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine?
1-[(4-bromophenyl)methyl]piperidine;phenylmethanamine has a molecular weight of 361.33 g/mol, XLogP of 4.58, 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]piperidine;phenylmethanamine is sourced from PubChem (CID 174819017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).