1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine

C16H20BrN3 — CID 90495314

IUPAC1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESBrc1ccc(CN2CCC(Cn3cccn3)CC2)cc1
InChIInChI=1S/C16H20BrN3/c17-16-4-2-14(3-5-16)12-19-10-6-15(7-11-19)13-20-9-1-8-18-20/h1-5,8-9,15H,6-7,10-13H2
InChIKeyDRTCBWCSCOBNFV-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.56
Rot. Bonds4

About 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine

1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine (PubChem CID 90495314) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
PubChem CID90495314
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
SMILESBrc1ccc(CN2CCC(Cn3cccn3)CC2)cc1
InChIInChI=1S/C16H20BrN3/c17-16-4-2-14(3-5-16)12-19-10-6-15(7-11-19)13-20-9-1-8-18-20/h1-5,8-9,15H,6-7,10-13H2
InChIKeyDRTCBWCSCOBNFV-UHFFFAOYSA-N
XLogP3.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-4-(1,2,4-triazol-1-ylmethyl)piperidine
CID 122139070
methyl 4-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate
CID 90495331
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
1-[(4-bromophenyl)methyl]-4-ethylpiperidine
CID 63456491
5-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-2-pyridin-2-ylpyridine
CID 136548930
1-[(2-methylphenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495315
1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 77083125
4-bromo-1-[(4-bromophenyl)methyl]piperidine
CID 80680051
1,4,7,10-tetrakis[(4-bromophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 71732809
2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606346
2-(4-bromophenyl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95325536
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine (CID 90495314) is 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine is Brc1ccc(CN2CCC(Cn3cccn3)CC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
The InChIKey is DRTCBWCSCOBNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c17-16-4-2-14(3-5-16)12-19-10-6-15(7-11-19)13-20-9-1-8-18-20/h1-5,8-9,15H,6-7,10-13H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine?
1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine has a molecular weight of 334.26 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine is sourced from PubChem (CID 90495314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).