N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine

C14H24N4 — CID 83980043

IUPACN,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine
SMILESCC1CN(C(CN(C)C)c2ccncc2)CCN1
InChIInChI=1S/C14H24N4/c1-12-10-18(9-8-16-12)14(11-17(2)3)13-4-6-15-7-5-13/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeyDPKSQSKVODXVDP-UHFFFAOYSA-N
MW248.37 g/mol
LogP0.98
Rot. Bonds4

About N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine

N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine (PubChem CID 83980043) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine
PubChem CID83980043
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine
SMILESCC1CN(C(CN(C)C)c2ccncc2)CCN1
InChIInChI=1S/C14H24N4/c1-12-10-18(9-8-16-12)14(11-17(2)3)13-4-6-15-7-5-13/h4-7,12,14,16H,8-11H2,1-3H3
InChIKeyDPKSQSKVODXVDP-UHFFFAOYSA-N
XLogP0.98
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)-1-(3-methylpiperazin-1-yl)ethyl]-N,N-dimethylaniline
CID 83977901
2-(4-tert-butylphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978630
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
2-(3,4-dichlorophenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978693
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
N,N-diethyl-2-piperazin-1-yl-2-pyridin-4-ylethanamine
CID 83980045
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
2-(4-tert-butylphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83978628
3-(3-methylpiperazin-1-yl)-3-phenylpropanenitrile
CID 65449769
3-[(3S)-3-methylpiperazin-1-yl]-3-phenylpropanenitrile
CID 104976929
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-methylpiperazine;ethane
CID 176717104
2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978280

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
The IUPAC name of N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine (CID 83980043) is N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine is CC1CN(C(CN(C)C)c2ccncc2)CCN1.
What is the InChIKey of N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
The InChIKey is DPKSQSKVODXVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12-10-18(9-8-16-12)14(11-17(2)3)13-4-6-15-7-5-13/h4-7,12,14,16H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine?
N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine has a molecular weight of 248.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-methylpiperazin-1-yl)-2-pyridin-4-ylethanamine is sourced from PubChem (CID 83980043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).