3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine

C14H21BrN2 — CID 82094586

IUPAC3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine
SMILESNCC(Cc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H21BrN2/c15-13-6-4-12(5-7-13)10-14(11-16)17-8-2-1-3-9-17/h4-7,14H,1-3,8-11,16H2
InChIKeyRIWNCYDHORETCN-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.80
Rot. Bonds4

About 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine

3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine (PubChem CID 82094586) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine
PubChem CID82094586
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine
SMILESNCC(Cc1ccc(Br)cc1)N1CCCCC1
InChIInChI=1S/C14H21BrN2/c15-13-6-4-12(5-7-13)10-14(11-16)17-8-2-1-3-9-17/h4-7,14H,1-3,8-11,16H2
InChIKeyRIWNCYDHORETCN-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 82090875
1-[1-amino-3-(4-bromophenyl)propan-2-yl]-3-(trifluoromethyl)pyrrolidin-3-ol;azane
CID 121304849
3-pyridin-3-yl-2-pyrrolidin-1-ylpropan-1-amine
CID 82077199
3-(2-chlorophenyl)-2-piperidin-1-ylpropan-1-amine
CID 82088060
3-[3-amino-2-(azetidin-1-yl)propyl]phenol
CID 84722321
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
2-(4,4-dimethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 55157460
3-amino-2-(azocan-1-yl)propan-1-ol
CID 104710806
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
1-(4-bromophenyl)-3-phenyl-2-piperidin-1-ylpropan-1-one
CID 4317335
2-(4-bromophenyl)ethane-1,1-diol
CID 54153595
1-[1-amino-3-(4-fluorophenyl)propan-2-yl]-4-(trifluoromethyl)piperidin-4-ol
CID 121304833

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine (CID 82094586) is 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine is NCC(Cc1ccc(Br)cc1)N1CCCCC1.
What is the InChIKey of 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine?
The InChIKey is RIWNCYDHORETCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c15-13-6-4-12(5-7-13)10-14(11-16)17-8-2-1-3-9-17/h4-7,14H,1-3,8-11,16H2.
What are the key properties of 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine?
3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 82094586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).