N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine

C16H28N4 — CID 79666373

IUPACN-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1CN(C)CCN1C
InChIInChI=1S/C16H28N4/c1-4-7-18-15(12-14-5-8-17-9-6-14)16-13-19(2)10-11-20(16)3/h5-6,8-9,15-16,18H,4,7,10-13H2,1-3H3
InChIKeyPTJFJIBEFRWEOJ-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.24
Rot. Bonds6

About N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine

N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 79666373) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID79666373
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1CN(C)CCN1C
InChIInChI=1S/C16H28N4/c1-4-7-18-15(12-14-5-8-17-9-6-14)16-13-19(2)10-11-20(16)3/h5-6,8-9,15-16,18H,4,7,10-13H2,1-3H3
InChIKeyPTJFJIBEFRWEOJ-UHFFFAOYSA-N
XLogP1.24
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylthiomorpholin-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 106445504
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
CID 79659112
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-ethylethanamine
CID 79658445
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 79658853
1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine
CID 79664602
N-[1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79732011
4-[2-(4-methylthiomorpholin-3-yl)-2-(propylamino)ethyl]pyridin-2-amine
CID 106445474
2-(3-chloro-4-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658432
N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 79659614
4-methoxy-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 62605290
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658687
N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 114825972

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine (CID 79666373) is N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)C1CN(C)CCN1C.
What is the InChIKey of N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is PTJFJIBEFRWEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-7-18-15(12-14-5-8-17-9-6-14)16-13-19(2)10-11-20(16)3/h5-6,8-9,15-16,18H,4,7,10-13H2,1-3H3.
What are the key properties of N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 1.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 79666373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).