N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine

C15H25N3 — CID 143114177

IUPACN,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
SMILESCN1CCN(CC(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C15H25N3/c1-16(2)15(14-7-5-4-6-8-14)13-18-11-9-17(3)10-12-18/h4-8,15H,9-13H2,1-3H3
InChIKeyDPBBDRNQRAJBGW-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.54
Rot. Bonds4

About N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine

N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine (PubChem CID 143114177) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
PubChem CID143114177
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
SMILESCN1CCN(CC(c2ccccc2)N(C)C)CC1
InChIInChI=1S/C15H25N3/c1-16(2)15(14-7-5-4-6-8-14)13-18-11-9-17(3)10-12-18/h4-8,15H,9-13H2,1-3H3
InChIKeyDPBBDRNQRAJBGW-UHFFFAOYSA-N
XLogP1.54
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate
CID 57362257
(2S)-3-(4-methylpiperazin-1-yl)-2-phenylpropan-1-amine
CID 93102230
N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 58948589
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
CID 65071440
2-methyl-3-(4-methyl-1,4-diazepan-1-yl)-1-phenylpropan-1-ol
CID 62619504
ethane;N-ethyl-N-methyl-2-morpholin-4-yl-1-phenylethanamine
CID 143114202
2-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]benzoic acid
CID 67612586
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
3-(4-methylpiperazin-1-yl)-2-phenylpropanimidamide
CID 64536264
1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-ol
CID 59799485
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
The IUPAC name of N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine (CID 143114177) is N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine.
What is the SMILES notation for N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
The canonical SMILES for N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine is CN1CCN(CC(c2ccccc2)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
The InChIKey is DPBBDRNQRAJBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-16(2)15(14-7-5-4-6-8-14)13-18-11-9-17(3)10-12-18/h4-8,15H,9-13H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine?
N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine has a molecular weight of 247.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4-methylpiperazin-1-yl)-1-phenylethanamine is sourced from PubChem (CID 143114177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).