N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H28N4 — CID 81247301

IUPACN-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2ccncc2CNC(C)(C)C)CCN1C
InChIInChI=1S/C16H28N4/c1-13-12-20(9-8-19(13)5)15-6-7-17-10-14(15)11-18-16(2,3)4/h6-7,10,13,18H,8-9,11-12H2,1-5H3
InChIKeyBZVWVPHVQQCETP-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds3

About N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 81247301) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID81247301
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(c2ccncc2CNC(C)(C)C)CCN1C
InChIInChI=1S/C16H28N4/c1-13-12-20(9-8-19(13)5)15-6-7-17-10-14(15)11-18-16(2,3)4/h6-7,10,13,18H,8-9,11-12H2,1-5H3
InChIKeyBZVWVPHVQQCETP-UHFFFAOYSA-N
XLogP2.11
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 81247301) is N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC1CN(c2ccncc2CNC(C)(C)C)CCN1C.
What is the InChIKey of N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BZVWVPHVQQCETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-13-12-20(9-8-19(13)5)15-6-7-17-10-14(15)11-18-16(2,3)4/h6-7,10,13,18H,8-9,11-12H2,1-5H3.
What are the key properties of N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dimethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81247301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).