[4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine

C17H36N4 — CID 61430079

IUPAC[4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine
SMILESCCCN1CCC(CN)(N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H36N4/c1-5-8-19-9-6-17(15-18,7-10-19)21-13-11-20(12-14-21)16(2,3)4/h5-15,18H2,1-4H3
InChIKeyJQENLLIYCNVBAJ-UHFFFAOYSA-N
MW296.50 g/mol
LogP1.61
Rot. Bonds4

About [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine

[4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine (PubChem CID 61430079) has the molecular formula C17H36N4 and a molecular weight of 296.50 g/mol. Its IUPAC name is [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine
PubChem CID61430079
Molecular FormulaC17H36N4
Molecular Weight296.50 g/mol
Exact Mass296.29
IUPAC Name[4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine
SMILESCCCN1CCC(CN)(N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H36N4/c1-5-8-19-9-6-17(15-18,7-10-19)21-13-11-20(12-14-21)16(2,3)4/h5-15,18H2,1-4H3
InChIKeyJQENLLIYCNVBAJ-UHFFFAOYSA-N
XLogP1.61
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-tert-butylpiperazin-1-yl)cyclopropyl]methanamine
CID 106661111
[4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine
CID 63157147
1-tert-butyl-4-propylpiperazine
CID 58721754
[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine
CID 63335770
[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
CID 65091150
[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
CID 24705250
[3-(2-methylpropyl)-1-(4-propylpiperazin-1-yl)cyclohexyl]methanamine
CID 107428904
(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
CID 115022739
ethyl 2-(1-propyl-4-pyrrolidin-1-ylpiperidin-4-yl)acetate
CID 64526459
1-propyl-4-(trifluoromethyl)piperidin-4-amine
CID 63897165
[1-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]azepan-4-yl]methanamine
CID 65075298

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine (CID 61430079) is [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine is CCCN1CCC(CN)(N2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine?
The InChIKey is JQENLLIYCNVBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4/c1-5-8-19-9-6-17(15-18,7-10-19)21-13-11-20(12-14-21)16(2,3)4/h5-15,18H2,1-4H3.
What are the key properties of [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine?
[4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine has a molecular weight of 296.50 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine is sourced from PubChem (CID 61430079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).