1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine

C19H30ClN3 — CID 95347302

IUPAC1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C19H30ClN3/c1-16(18-3-5-19(20)6-4-18)23-9-7-17(8-10-23)15-22-13-11-21(2)12-14-22/h3-6,16-17H,7-15H2,1-2H3/t16-/m0/s1
InChIKeyLUGUJVNPYCFVIJ-INIZCTEOSA-N
MW335.92 g/mol
LogP3.36
Rot. Bonds4

About 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine

1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine (PubChem CID 95347302) has the molecular formula C19H30ClN3 and a molecular weight of 335.92 g/mol. Its IUPAC name is 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine
PubChem CID95347302
Molecular FormulaC19H30ClN3
Molecular Weight335.92 g/mol
Exact Mass335.21
IUPAC Name1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine
SMILESC[C@@H](c1ccc(Cl)cc1)N1CCC(CN2CCN(C)CC2)CC1
InChIInChI=1S/C19H30ClN3/c1-16(18-3-5-19(20)6-4-18)23-9-7-17(8-10-23)15-22-13-11-21(2)12-14-22/h3-6,16-17H,7-15H2,1-2H3/t16-/m0/s1
InChIKeyLUGUJVNPYCFVIJ-INIZCTEOSA-N
XLogP3.36
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine (CID 95347302) is 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine is C[C@@H](c1ccc(Cl)cc1)N1CCC(CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine?
The InChIKey is LUGUJVNPYCFVIJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30ClN3/c1-16(18-3-5-19(20)6-4-18)23-9-7-17(8-10-23)15-22-13-11-21(2)12-14-22/h3-6,16-17H,7-15H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine?
1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine has a molecular weight of 335.92 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(1S)-1-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 95347302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).