1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine

C19H31N3 — CID 82201637

IUPAC1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine
SMILESCC1CC(C)CN(C(CN2CCNCC2)c2ccccc2)C1
InChIInChI=1S/C19H31N3/c1-16-12-17(2)14-22(13-16)19(18-6-4-3-5-7-18)15-21-10-8-20-9-11-21/h3-7,16-17,19-20H,8-15H2,1-2H3
InChIKeyBSTBAIBQSXKFSP-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.61
Rot. Bonds4

About 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine

1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine (PubChem CID 82201637) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine
PubChem CID82201637
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine
SMILESCC1CC(C)CN(C(CN2CCNCC2)c2ccccc2)C1
InChIInChI=1S/C19H31N3/c1-16-12-17(2)14-22(13-16)19(18-6-4-3-5-7-18)15-21-10-8-20-9-11-21/h3-7,16-17,19-20H,8-15H2,1-2H3
InChIKeyBSTBAIBQSXKFSP-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine
CID 82201838
2,6-dimethyl-4-(2-piperazin-1-yl-1-pyridin-2-ylethyl)morpholine
CID 82201847
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514
1-(3-methyl-2-phenylpentyl)piperazine
CID 62488695
1-(2-chloro-1-phenylethyl)piperazine
CID 59260605
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 82201857
1-[(1S)-1-(3-chlorophenyl)-2-piperazin-1-ylethyl]-4-methylpiperazine
CID 129365376
1-(2-phenyl-2-pyridin-4-ylethyl)piperazine
CID 70241433
1-[(1R)-3-fluoro-1-phenylpropyl]piperazine;hydrochloride
CID 171172730
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine?
The IUPAC name of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine (CID 82201637) is 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine.
What is the SMILES notation for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine?
The canonical SMILES for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine is CC1CC(C)CN(C(CN2CCNCC2)c2ccccc2)C1.
What is the InChIKey of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine?
The InChIKey is BSTBAIBQSXKFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-16-12-17(2)14-22(13-16)19(18-6-4-3-5-7-18)15-21-10-8-20-9-11-21/h3-7,16-17,19-20H,8-15H2,1-2H3.
What are the key properties of 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine?
1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine has a molecular weight of 301.48 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpiperidin-1-yl)-2-phenylethyl]piperazine is sourced from PubChem (CID 82201637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).