N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine

C20H29FN4 — CID 45230318

IUPACN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCN(Cc1ccn[nH]1)CC1CCCN(CCc2cccc(F)c2)C1
InChIInChI=1S/C20H29FN4/c1-2-24(16-20-8-10-22-23-20)14-18-6-4-11-25(15-18)12-9-17-5-3-7-19(21)13-17/h3,5,7-8,10,13,18H,2,4,6,9,11-12,14-16H2,1H3,(H,22,23)
InChIKeyIHGAUWAHILOEJZ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.33
Rot. Bonds8

About N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine

N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 45230318) has the molecular formula C20H29FN4 and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID45230318
Molecular FormulaC20H29FN4
Molecular Weight344.48 g/mol
Exact Mass344.24
IUPAC NameN-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCCN(Cc1ccn[nH]1)CC1CCCN(CCc2cccc(F)c2)C1
InChIInChI=1S/C20H29FN4/c1-2-24(16-20-8-10-22-23-20)14-18-6-4-11-25(15-18)12-9-17-5-3-7-19(21)13-17/h3,5,7-8,10,13,18H,2,4,6,9,11-12,14-16H2,1H3,(H,22,23)
InChIKeyIHGAUWAHILOEJZ-UHFFFAOYSA-N
XLogP3.33
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 45230784
N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 30852832
4-[4-[[ethyl-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]amino]methyl]phenyl]but-3-yn-1-ol
CID 23723545
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]ethanamine
CID 45221873
N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 31016991
N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 42393054
N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25274770
N,5-diethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 97275993
N-ethyl-N-[[(3S)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide
CID 42594720
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-imidazol-1-ylacetamide
CID 45228521
N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-4-methyl-2-oxopentanamide
CID 42557076
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 45235384

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 45230318) is N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine is CCN(Cc1ccn[nH]1)CC1CCCN(CCc2cccc(F)c2)C1.
What is the InChIKey of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is IHGAUWAHILOEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN4/c1-2-24(16-20-8-10-22-23-20)14-18-6-4-11-25(15-18)12-9-17-5-3-7-19(21)13-17/h3,5,7-8,10,13,18H,2,4,6,9,11-12,14-16H2,1H3,(H,22,23).
What are the key properties of N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine?
N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 344.48 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 45230318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).