N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

C21H31ClN4 — CID 45238729

IUPACN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCN(CCCn1cccn1)CC1CCCN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H31ClN4/c1-24(12-4-15-26-14-3-11-23-26)17-20-5-2-13-25(18-20)16-10-19-6-8-21(22)9-7-19/h3,6-9,11,14,20H,2,4-5,10,12-13,15-18H2,1H3
InChIKeyRJUCHCSNQMJAKC-UHFFFAOYSA-N
MW374.96 g/mol
LogP3.81
Rot. Bonds9

About N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine

N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (PubChem CID 45238729) has the molecular formula C21H31ClN4 and a molecular weight of 374.96 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
PubChem CID45238729
Molecular FormulaC21H31ClN4
Molecular Weight374.96 g/mol
Exact Mass374.22
IUPAC NameN-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
SMILESCN(CCCn1cccn1)CC1CCCN(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H31ClN4/c1-24(12-4-15-26-14-3-11-23-26)17-20-5-2-13-25(18-20)16-10-19-6-8-21(22)9-7-19/h3,6-9,11,14,20H,2,4-5,10,12-13,15-18H2,1H3
InChIKeyRJUCHCSNQMJAKC-UHFFFAOYSA-N
XLogP3.81
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 42286681
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42100663
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
CID 45243649
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylfuran-3-carboxamide
CID 24817190
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methylcyclohexanecarboxamide
CID 45237912
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42254398
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-4-fluoro-N-methylbenzamide
CID 45179371
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 25376126
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 45240100
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 45220091
N-[(1-ethylimidazol-2-yl)methyl]-1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42517995
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-phenoxyacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine (CID 45238729) is N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is CN(CCCn1cccn1)CC1CCCN(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is RJUCHCSNQMJAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN4/c1-24(12-4-15-26-14-3-11-23-26)17-20-5-2-13-25(18-20)16-10-19-6-8-21(22)9-7-19/h3,6-9,11,14,20H,2,4-5,10,12-13,15-18H2,1H3.
What are the key properties of N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine?
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 374.96 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 45238729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).