[6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine

C24H34ClN5 — CID 59427716

IUPAC[6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine
SMILESCC[C@H]1CN(c2ccc(CN)cn2)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H34ClN5/c1-2-22-18-29(24-8-5-20(15-26)16-27-24)13-14-30(22)23-9-11-28(12-10-23)17-19-3-6-21(25)7-4-19/h3-8,16,22-23H,2,9-15,17-18,26H2,1H3/t22-/m0/s1
InChIKeyBZACEYGNJJXFRH-QFIPXVFZSA-N
MW428.02 g/mol
LogP3.76
Rot. Bonds6

About [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine

[6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine (PubChem CID 59427716) has the molecular formula C24H34ClN5 and a molecular weight of 428.02 g/mol. Its IUPAC name is [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine
PubChem CID59427716
Molecular FormulaC24H34ClN5
Molecular Weight428.02 g/mol
Exact Mass427.25
IUPAC Name[6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine
SMILESCC[C@H]1CN(c2ccc(CN)cn2)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H34ClN5/c1-2-22-18-29(24-8-5-20(15-26)16-27-24)13-14-30(22)23-9-11-28(12-10-23)17-19-3-6-21(25)7-4-19/h3-8,16,22-23H,2,9-15,17-18,26H2,1H3/t22-/m0/s1
InChIKeyBZACEYGNJJXFRH-QFIPXVFZSA-N
XLogP3.76
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.02
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine with MolForge

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Related Compounds

5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 11997684
N-[6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-5-methyl-3-pyridinyl]methanesulfonamide
CID 143279979
5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-propan-2-ylpyridine-3-carboxamide;molecular hydrogen
CID 161221227
3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
CID 143280991
5-[5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-fluoro-6-methyl-2-pyridinyl]-4H-pyrazol-3-amine
CID 143544891
[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine;1-[[5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methyl]-3-ethylurea
CID 159033098
N-[5-chloro-6-[(3S)-3-ethyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-3-pyridinyl]methanesulfonamide
CID 11853954
3-amino-6-chloro-5-[(3S)-4-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 88976353
1-[[3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carbonyl]amino]-3-methylthiourea
CID 58830182
1-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166581
3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[(3R)-2-oxooxolan-3-yl]pyrazine-2-carboxamide
CID 11996050
3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[(3S)-2-oxooxolan-3-yl]pyrazine-2-carboxamide
CID 58830232

Frequently Asked Questions

What is the IUPAC name of [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine?
The IUPAC name of [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine (CID 59427716) is [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine.
What is the SMILES notation for [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine?
The canonical SMILES for [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine is CC[C@H]1CN(c2ccc(CN)cn2)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine?
The InChIKey is BZACEYGNJJXFRH-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H34ClN5/c1-2-22-18-29(24-8-5-20(15-26)16-27-24)13-14-30(22)23-9-11-28(12-10-23)17-19-3-6-21(25)7-4-19/h3-8,16,22-23H,2,9-15,17-18,26H2,1H3/t22-/m0/s1.
What are the key properties of [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine?
[6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine has a molecular weight of 428.02 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-pyridinyl]methanamine is sourced from PubChem (CID 59427716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).