1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine

C17H26ClN3 — CID 114421147

IUPAC1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine
SMILESCC1CCNC(CN2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C17H26ClN3/c1-14-5-6-19-16(11-14)13-20-7-9-21(10-8-20)17-4-2-3-15(18)12-17/h2-4,12,14,16,19H,5-11,13H2,1H3
InChIKeyZGOKHPRGDPYJGR-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.85
Rot. Bonds3

About 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine

1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine (PubChem CID 114421147) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine
PubChem CID114421147
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine
SMILESCC1CCNC(CN2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C17H26ClN3/c1-14-5-6-19-16(11-14)13-20-7-9-21(10-8-20)17-4-2-3-15(18)12-17/h2-4,12,14,16,19H,5-11,13H2,1H3
InChIKeyZGOKHPRGDPYJGR-UHFFFAOYSA-N
XLogP2.85
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 22689612
1-[(4-methylpiperidin-2-yl)methyl]-4-methylsulfonylpiperazine
CID 114421488
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]thiomorpholine
CID 66420536
(3R)-1-(3-chlorophenyl)-3-methylpiperazine
CID 10822374
4-[(4-methylpiperidin-2-yl)methyl]morpholine
CID 114421101
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]oxan-4-amine
CID 103058539
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 142164376

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine (CID 114421147) is 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine is CC1CCNC(CN2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine?
The InChIKey is ZGOKHPRGDPYJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-14-5-6-19-16(11-14)13-20-7-9-21(10-8-20)17-4-2-3-15(18)12-17/h2-4,12,14,16,19H,5-11,13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine?
1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine has a molecular weight of 307.87 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(4-methylpiperidin-2-yl)methyl]piperazine is sourced from PubChem (CID 114421147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).