N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine

C19H23BrN2 — CID 4035657

IUPACN-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
SMILESCc1cccc(CN2CCC(Nc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C19H23BrN2/c1-15-4-2-5-16(12-15)14-22-10-8-18(9-11-22)21-19-7-3-6-17(20)13-19/h2-7,12-13,18,21H,8-11,14H2,1H3
InChIKeyJANBOWGFLQSDRB-UHFFFAOYSA-N
MW359.31 g/mol
LogP4.83
Rot. Bonds4

About N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine

N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine (PubChem CID 4035657) has the molecular formula C19H23BrN2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
PubChem CID4035657
Molecular FormulaC19H23BrN2
Molecular Weight359.31 g/mol
Exact Mass358.10
IUPAC NameN-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine
SMILESCc1cccc(CN2CCC(Nc3cccc(Br)c3)CC2)c1
InChIInChI=1S/C19H23BrN2/c1-15-4-2-5-16(12-15)14-22-10-8-18(9-11-22)21-19-7-3-6-17(20)13-19/h2-7,12-13,18,21H,8-11,14H2,1H3
InChIKeyJANBOWGFLQSDRB-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 65072536
N-(3-methylphenyl)-1-prop-2-ynylpiperidin-4-amine
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N-(3-methylphenyl)-1-(2-phenylethyl)pyrrolidin-3-amine
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4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
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N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
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N-(1-benzylpiperidin-4-yl)-5-bromopyridin-3-amine
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N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 146074496
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
CID 146121498
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine (CID 4035657) is N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine is Cc1cccc(CN2CCC(Nc3cccc(Br)c3)CC2)c1.
What is the InChIKey of N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is JANBOWGFLQSDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2/c1-15-4-2-5-16(12-15)14-22-10-8-18(9-11-22)21-19-7-3-6-17(20)13-19/h2-7,12-13,18,21H,8-11,14H2,1H3.
What are the key properties of N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine?
N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 359.31 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-[(3-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 4035657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).