2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine

C16H28N4 — CID 62423507

IUPAC2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
SMILESCC(CNC(C)(C)C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4/c1-14(13-18-16(2,3)4)19-9-11-20(12-10-19)15-7-5-6-8-17-15/h5-8,14,18H,9-13H2,1-4H3
InChIKeyGKEAJJDRZNTPEL-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.98
Rot. Bonds4

About 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine

2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine (PubChem CID 62423507) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
PubChem CID62423507
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
SMILESCC(CNC(C)(C)C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4/c1-14(13-18-16(2,3)4)19-9-11-20(12-10-19)15-7-5-6-8-17-15/h5-8,14,18H,9-13H2,1-4H3
InChIKeyGKEAJJDRZNTPEL-UHFFFAOYSA-N
XLogP1.98
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]cyclohexanamine
CID 13345115
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine
CID 13345125
N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine
CID 62425695
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108506944
(2S)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-amine
CID 22689446
2-methyl-1-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 66336663
2-methyl-2-(propan-2-ylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792184
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine
CID 55070081
2-(ethylamino)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 62832845

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine (CID 62423507) is 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine is CC(CNC(C)(C)C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine?
The InChIKey is GKEAJJDRZNTPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-14(13-18-16(2,3)4)19-9-11-20(12-10-19)15-7-5-6-8-17-15/h5-8,14,18H,9-13H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine?
2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine is sourced from PubChem (CID 62423507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).