N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline

C19H26N4 — CID 110452626

IUPACN,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline
SMILESCC(c1cccnc1)N1CCN(c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C19H26N4/c1-16(17-6-5-9-20-15-17)22-10-12-23(13-11-22)19-8-4-7-18(14-19)21(2)3/h4-9,14-16H,10-13H2,1-3H3
InChIKeyXIGACRHDYGLSFA-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.03
Rot. Bonds4

About N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline

N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline (PubChem CID 110452626) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline
PubChem CID110452626
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC NameN,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline
SMILESCC(c1cccnc1)N1CCN(c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C19H26N4/c1-16(17-6-5-9-20-15-17)22-10-12-23(13-11-22)19-8-4-7-18(14-19)21(2)3/h4-9,14-16H,10-13H2,1-3H3
InChIKeyXIGACRHDYGLSFA-UHFFFAOYSA-N
XLogP3.03
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631
4-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 133339613
6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133310020
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzonitrile
CID 122134128
4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
CID 124885067
(3-aminophenyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903343
1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 166223958
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
2-fluoro-6-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]benzamide
CID 136568984
5-chloro-6-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]pyrimidin-4-amine
CID 129479354

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline (CID 110452626) is N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline is CC(c1cccnc1)N1CCN(c2cccc(N(C)C)c2)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline?
The InChIKey is XIGACRHDYGLSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-16(17-6-5-9-20-15-17)22-10-12-23(13-11-22)19-8-4-7-18(14-19)21(2)3/h4-9,14-16H,10-13H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline?
N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline has a molecular weight of 310.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 110452626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).