N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline

C19H26N4 — CID 110452660

IUPACN,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline
SMILESCC(c1ccccn1)N1CCN(c2ccccc2N(C)C)CC1
InChIInChI=1S/C19H26N4/c1-16(17-8-6-7-11-20-17)22-12-14-23(15-13-22)19-10-5-4-9-18(19)21(2)3/h4-11,16H,12-15H2,1-3H3
InChIKeyIVKIAIRSNLXMSY-UHFFFAOYSA-N
MW310.45 g/mol
LogP3.03
Rot. Bonds4

About N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline

N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline (PubChem CID 110452660) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline
PubChem CID110452660
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC NameN,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline
SMILESCC(c1ccccn1)N1CCN(c2ccccc2N(C)C)CC1
InChIInChI=1S/C19H26N4/c1-16(17-8-6-7-11-20-17)22-12-14-23(15-13-22)19-10-5-4-9-18(19)21(2)3/h4-11,16H,12-15H2,1-3H3
InChIKeyIVKIAIRSNLXMSY-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-(2,4-difluorophenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452657
1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454927
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
4-fluoro-1-methyl-2-[4-[(1S)-1-pyridin-2-ylethyl]piperazin-1-yl]benzimidazole
CID 100683576
4-methoxy-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyrimidine
CID 146125070
1-(azetidin-3-yl)-4-(1-pyridin-2-ylethyl)piperazine
CID 66202131
5-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 86793175
4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
CID 99627124
1-(1-pyridin-2-ylethyl)-1,4-diazepane
CID 3815580
4-[(1S)-1-pyridin-2-ylethyl]-1,4-thiazepane
CID 97100104
2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730
1-(3-chloro-4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110452672

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline?
The IUPAC name of N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline (CID 110452660) is N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline?
The canonical SMILES for N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline is CC(c1ccccn1)N1CCN(c2ccccc2N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline?
The InChIKey is IVKIAIRSNLXMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-16(17-8-6-7-11-20-17)22-12-14-23(15-13-22)19-10-5-4-9-18(19)21(2)3/h4-11,16H,12-15H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline?
N,N-dimethyl-2-[4-(1-pyridin-2-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-2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]aniline is sourced from PubChem (CID 110452660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).