1-[(4-bromophenyl)methyl]piperidin-4-amine

C12H17BrN2 — CID 23312456

IUPAC1-[(4-bromophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H17BrN2/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15/h1-4,12H,5-9,14H2
InChIKeyDDPNUBVUABSUEG-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.37
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]piperidin-4-amine

1-[(4-bromophenyl)methyl]piperidin-4-amine (PubChem CID 23312456) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]piperidin-4-amine
PubChem CID23312456
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-[(4-bromophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H17BrN2/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15/h1-4,12H,5-9,14H2
InChIKeyDDPNUBVUABSUEG-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(4-bromophenyl)methyl]piperidin-4-amine (CID 23312456) is 1-[(4-bromophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]piperidin-4-amine is NC1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]piperidin-4-amine?
The InChIKey is DDPNUBVUABSUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-11-3-1-10(2-4-11)9-15-7-5-12(14)6-8-15/h1-4,12H,5-9,14H2.
What are the key properties of 1-[(4-bromophenyl)methyl]piperidin-4-amine?
1-[(4-bromophenyl)methyl]piperidin-4-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 1-[(4-bromophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 23312456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).