1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine

C17H25BrN2 — CID 756342

IUPAC1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine
SMILESBrc1ccccc1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H25BrN2/c18-17-7-3-2-6-15(17)14-19-12-8-16(9-13-19)20-10-4-1-5-11-20/h2-3,6-7,16H,1,4-5,8-14H2
InChIKeyABMFWSOWVJVGGG-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.90
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine

1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine (PubChem CID 756342) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine
PubChem CID756342
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine
SMILESBrc1ccccc1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H25BrN2/c18-17-7-3-2-6-15(17)14-19-12-8-16(9-13-19)20-10-4-1-5-11-20/h2-3,6-7,16H,1,4-5,8-14H2
InChIKeyABMFWSOWVJVGGG-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bretylium
CID 2431
1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
1-[(2-Bromophenyl)methyl]-4-methylpiperazine
CID 763870
Tyrosinase Inhibitor, 4
CID 23727896
1-[(2-Bromophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 1529368
4-Benzyl-1-(2-bromobenzyl)piperidine
CID 791158
(2-Bromobenzyl)[2-(diethylamino)ethyl]ethylamine
CID 2053516
1-[(4-Bromophenyl)-phenylmethyl]-4-ethylpiperazine
CID 118119342
Benzenemethanaminium, 2-bromo-N-ethyl-N,N-dimethyl-, bromide (1:1)
CID 18499
4-Bromo-N,N-diisopropylbenzylamine
CID 598770
1-(4-Bromobenzyl)piperidine
CID 16495045
N-(3-bromobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 6456385

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine (CID 756342) is 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine is Brc1ccccc1CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine?
The InChIKey is ABMFWSOWVJVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c18-17-7-3-2-6-15(17)14-19-12-8-16(9-13-19)20-10-4-1-5-11-20/h2-3,6-7,16H,1,4-5,8-14H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine?
1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine has a molecular weight of 337.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 756342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).