1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine

C23H34ClN3 — CID 143301812

IUPAC1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine
SMILESC=C1C(Cc2ccc(N3CCN(C)CC3)cc2Cl)CCN1C1CCCCC1
InChIInChI=1S/C23H34ClN3/c1-18-19(10-11-27(18)21-6-4-3-5-7-21)16-20-8-9-22(17-23(20)24)26-14-12-25(2)13-15-26/h8-9,17,19,21H,1,3-7,10-16H2,2H3
InChIKeyLJBGFVGSDSWXPI-UHFFFAOYSA-N
MW388.00 g/mol
LogP4.80
Rot. Bonds4

About 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine

1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine (PubChem CID 143301812) has the molecular formula C23H34ClN3 and a molecular weight of 388.00 g/mol. Its IUPAC name is 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine
PubChem CID143301812
Molecular FormulaC23H34ClN3
Molecular Weight388.00 g/mol
Exact Mass387.24
IUPAC Name1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine
SMILESC=C1C(Cc2ccc(N3CCN(C)CC3)cc2Cl)CCN1C1CCCCC1
InChIInChI=1S/C23H34ClN3/c1-18-19(10-11-27(18)21-6-4-3-5-7-21)16-20-8-9-22(17-23(20)24)26-14-12-25(2)13-15-26/h8-9,17,19,21H,1,3-7,10-16H2,2H3
InChIKeyLJBGFVGSDSWXPI-UHFFFAOYSA-N
XLogP4.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.00
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine (CID 143301812) is 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine is C=C1C(Cc2ccc(N3CCN(C)CC3)cc2Cl)CCN1C1CCCCC1.
What is the InChIKey of 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine?
The InChIKey is LJBGFVGSDSWXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34ClN3/c1-18-19(10-11-27(18)21-6-4-3-5-7-21)16-20-8-9-22(17-23(20)24)26-14-12-25(2)13-15-26/h8-9,17,19,21H,1,3-7,10-16H2,2H3.
What are the key properties of 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine?
1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine has a molecular weight of 388.00 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(1-cyclohexyl-2-methylidenepyrrolidin-3-yl)methyl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 143301812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).