N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine

C17H30N4 — CID 62625122

IUPACN,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
SMILESCNC(CCN1CCN(c2ccccn2)CC1)C(C)(C)C
InChIInChI=1S/C17H30N4/c1-17(2,3)15(18-4)8-10-20-11-13-21(14-12-20)16-7-5-6-9-19-16/h5-7,9,15,18H,8,10-14H2,1-4H3
InChIKeyMALBIUJNCOADDE-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.23
Rot. Bonds5

About N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine

N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine (PubChem CID 62625122) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine.

Molecular Properties

Compound NameN,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
PubChem CID62625122
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine
SMILESCNC(CCN1CCN(c2ccccn2)CC1)C(C)(C)C
InChIInChI=1S/C17H30N4/c1-17(2,3)15(18-4)8-10-20-11-13-21(14-12-20)16-7-5-6-9-19-16/h5-7,9,15,18H,8,10-14H2,1-4H3
InChIKeyMALBIUJNCOADDE-UHFFFAOYSA-N
XLogP2.23
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66452314
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CID 60860602
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine
CID 91224251
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257131
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446

Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine?
The IUPAC name of N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine (CID 62625122) is N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine.
What is the SMILES notation for N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine?
The canonical SMILES for N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine is CNC(CCN1CCN(c2ccccn2)CC1)C(C)(C)C.
What is the InChIKey of N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine?
The InChIKey is MALBIUJNCOADDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-17(2,3)15(18-4)8-10-20-11-13-21(14-12-20)16-7-5-6-9-19-16/h5-7,9,15,18H,8,10-14H2,1-4H3.
What are the key properties of N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine?
N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine has a molecular weight of 290.45 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-3-amine is sourced from PubChem (CID 62625122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).