4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine

C21H30N4 — CID 146039698

IUPAC4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
SMILESc1cc(CN2CCC(C3CCNCC3)CC2)cc(Cn2cccn2)c1
InChIInChI=1S/C21H30N4/c1-3-18(15-19(4-1)17-25-12-2-9-23-25)16-24-13-7-21(8-14-24)20-5-10-22-11-6-20/h1-4,9,12,15,20-22H,5-8,10-11,13-14,16-17H2
InChIKeyLHCUTCLUOHVOEQ-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.14
Rot. Bonds5

About 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine

4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine (PubChem CID 146039698) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
PubChem CID146039698
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine
SMILESc1cc(CN2CCC(C3CCNCC3)CC2)cc(Cn2cccn2)c1
InChIInChI=1S/C21H30N4/c1-3-18(15-19(4-1)17-25-12-2-9-23-25)16-24-13-7-21(8-14-24)20-5-10-22-11-6-20/h1-4,9,12,15,20-22H,5-8,10-11,13-14,16-17H2
InChIKeyLHCUTCLUOHVOEQ-UHFFFAOYSA-N
XLogP3.14
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
(4S)-N,N-dimethyl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-amine
CID 95729068
1-[[3-[[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrazole
CID 99937518
2-[[3-[(4-piperidin-4-ylpiperidin-1-yl)methyl]phenoxy]methyl]pyridine
CID 146037998
1-[(3-fluorophenyl)methyl]-4-(pyrazol-1-ylmethyl)piperidine
CID 90495312
1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride
CID 167312057
N-[2-methyl-5-(pyrazol-1-ylmethyl)phenyl]piperidin-4-amine
CID 175267234
5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride
CID 155940752
2-[3-(pyrazol-1-ylmethyl)phenyl]acetaldehyde
CID 123588781
4-(hydroxymethyl)-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56908922
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-3-pyrazol-1-ylpropanamide
CID 71916687

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine (CID 146039698) is 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine is c1cc(CN2CCC(C3CCNCC3)CC2)cc(Cn2cccn2)c1.
What is the InChIKey of 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
The InChIKey is LHCUTCLUOHVOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-3-18(15-19(4-1)17-25-12-2-9-23-25)16-24-13-7-21(8-14-24)20-5-10-22-11-6-20/h1-4,9,12,15,20-22H,5-8,10-11,13-14,16-17H2.
What are the key properties of 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine?
4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine has a molecular weight of 338.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 146039698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).