1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine

C17H27N3 — CID 114506163

IUPAC1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine
SMILESCC1CN(C)CCC1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H27N3/c1-14-12-19(2)10-8-17(14)20-11-9-18-16(13-20)15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3
InChIKeyGTWKLVUXUGKHQG-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.97
Rot. Bonds2

About 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine

1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine (PubChem CID 114506163) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine
PubChem CID114506163
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine
SMILESCC1CN(C)CCC1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C17H27N3/c1-14-12-19(2)10-8-17(14)20-11-9-18-16(13-20)15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3
InChIKeyGTWKLVUXUGKHQG-UHFFFAOYSA-N
XLogP1.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
3-phenyl-1-(4-propylcyclohexyl)piperazine
CID 64924571
1-chloro-3-phenylpiperazine
CID 18428014
1-[(1-methylpiperidin-4-yl)methyl]-3-phenyl-1,4-diazepane
CID 64948938
1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
CID 114505872
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
1-(2,2-dimethyloxan-4-yl)-3-phenylpiperazine
CID 83040309
(3R)-1-(3,4-dihydro-2H-chromen-4-yl)-3-phenylpiperazine
CID 177100016
1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
CID 114505869
(3R,4R)-1,3-dimethyl-4-phenylazepane
CID 125480807
7-methyl-3-phenyl-1-propyl-1,4-diazepane
CID 64870768
1-(1-methylsulfanylpropan-2-yl)-3-phenylpiperazine
CID 113473072

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine (CID 114506163) is 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine is CC1CN(C)CCC1N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine?
The InChIKey is GTWKLVUXUGKHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-12-19(2)10-8-17(14)20-11-9-18-16(13-20)15-6-4-3-5-7-15/h3-7,14,16-18H,8-13H2,1-2H3.
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine?
1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine has a molecular weight of 273.42 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-3-phenylpiperazine is sourced from PubChem (CID 114506163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).