N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine

C18H31N3 — CID 64934814

IUPACN,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine
SMILESCCCC1CN(CCCN(C)C)C(c2ccccc2)CN1
InChIInChI=1S/C18H31N3/c1-4-9-17-15-21(13-8-12-20(2)3)18(14-19-17)16-10-6-5-7-11-16/h5-7,10-11,17-19H,4,8-9,12-15H2,1-3H3
InChIKeyWTLIKQCAZCQRMT-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.75
Rot. Bonds7

About N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine

N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine (PubChem CID 64934814) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine
PubChem CID64934814
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine
SMILESCCCC1CN(CCCN(C)C)C(c2ccccc2)CN1
InChIInChI=1S/C18H31N3/c1-4-9-17-15-21(13-8-12-20(2)3)18(14-19-17)16-10-6-5-7-11-16/h5-7,10-11,17-19H,4,8-9,12-15H2,1-3H3
InChIKeyWTLIKQCAZCQRMT-UHFFFAOYSA-N
XLogP2.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine (CID 64934814) is N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine is CCCC1CN(CCCN(C)C)C(c2ccccc2)CN1.
What is the InChIKey of N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine?
The InChIKey is WTLIKQCAZCQRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-9-17-15-21(13-8-12-20(2)3)18(14-19-17)16-10-6-5-7-11-16/h5-7,10-11,17-19H,4,8-9,12-15H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine?
N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(2-phenyl-5-propylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 64934814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).