1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

C17H36N4 — CID 166963082

IUPAC1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCC(NCCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H36N4/c1-15(2)20-8-5-17(6-9-20)18-7-10-19-11-13-21(14-12-19)16(3)4/h15-18H,5-14H2,1-4H3
InChIKeySQAFWCWDEBWZOV-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.47
Rot. Bonds6

About 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine

1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (PubChem CID 166963082) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
PubChem CID166963082
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine
SMILESCC(C)N1CCC(NCCN2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H36N4/c1-15(2)20-8-5-17(6-9-20)18-7-10-19-11-13-21(14-12-19)16(3)4/h15-18H,5-14H2,1-4H3
InChIKeySQAFWCWDEBWZOV-UHFFFAOYSA-N
XLogP1.47
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-N-(2-thiomorpholin-4-ylethyl)pyrrolidin-3-amine
CID 103748347
N-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]cyclopropanamine
CID 62773117
N'-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diamine
CID 60889308
N-(3,3-dimethylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 60693742
N',N'-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diamine
CID 16773593
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
N-ethyl-1-propan-2-ylpiperidin-4-amine
CID 24692919
4-[(1-propan-2-ylpiperidin-4-yl)amino]butan-1-ol
CID 106840759
3-[(1-propan-2-ylpiperidin-4-yl)amino]propanenitrile
CID 28728184
2-[(1-propan-2-ylazepan-4-yl)amino]ethanol
CID 65074438
N-(3-methylhexyl)-1-propan-2-ylpiperidin-4-amine
CID 139366254
N-(3-methoxypropyl)-1-propan-2-ylpiperidin-4-amine
CID 28673243

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine (CID 166963082) is 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is CC(C)N1CCC(NCCN2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is SQAFWCWDEBWZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-15(2)20-8-5-17(6-9-20)18-7-10-19-11-13-21(14-12-19)16(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine?
1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 296.50 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 166963082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).