1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine

C20H33N3 — CID 97023531

IUPAC1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine
SMILESCc1ccccc1CCCN1CCN([C@H]2CCCN(C)C2)CC1
InChIInChI=1S/C20H33N3/c1-18-7-3-4-8-19(18)9-5-12-22-13-15-23(16-14-22)20-10-6-11-21(2)17-20/h3-4,7-8,20H,5-6,9-17H2,1-2H3/t20-/m0/s1
InChIKeyPINOKWHZEUKOJE-FQEVSTJZSA-N
MW315.50 g/mol
LogP2.64
Rot. Bonds5

About 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine

1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine (PubChem CID 97023531) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine
PubChem CID97023531
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC Name1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine
SMILESCc1ccccc1CCCN1CCN([C@H]2CCCN(C)C2)CC1
InChIInChI=1S/C20H33N3/c1-18-7-3-4-8-19(18)9-5-12-22-13-15-23(16-14-22)20-10-6-11-21(2)17-20/h3-4,7-8,20H,5-6,9-17H2,1-2H3/t20-/m0/s1
InChIKeyPINOKWHZEUKOJE-FQEVSTJZSA-N
XLogP2.64
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methylphenyl)propyl]-3-(4-methylpiperazin-1-yl)azepane
CID 166204017
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]hexan-1-ol
CID 71861093
1-cyclopentyl-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 66985098
2-[2-(2-fluorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930326
6-[3-(2-methylphenyl)propyl]-6-azabicyclo[3.2.0]heptane
CID 86770947
(2R)-2-hydroxy-2-[1-[3-(2-methylphenyl)propyl]piperidin-4-yl]acetamide
CID 129490064
3-ethyl-2-[(2-methylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79310129
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
1-phenyl-4-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]piperazine
CID 51636134
N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959463
1-(3-methylcyclohexyl)-4-[(2-methylphenyl)methyl]piperazine;oxalic acid
CID 2879992
2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine?
The IUPAC name of 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine (CID 97023531) is 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine.
What is the SMILES notation for 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine?
The canonical SMILES for 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine is Cc1ccccc1CCCN1CCN([C@H]2CCCN(C)C2)CC1.
What is the InChIKey of 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine?
The InChIKey is PINOKWHZEUKOJE-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H33N3/c1-18-7-3-4-8-19(18)9-5-12-22-13-15-23(16-14-22)20-10-6-11-21(2)17-20/h3-4,7-8,20H,5-6,9-17H2,1-2H3/t20-/m0/s1.
What are the key properties of 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine?
1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine has a molecular weight of 315.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylphenyl)propyl]-4-[(3S)-1-methylpiperidin-3-yl]piperazine is sourced from PubChem (CID 97023531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).