[4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine

C18H37N3 — CID 63157147

IUPAC[4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine
SMILESCCCN1CCC(CN)(N2CCC(CC)(CC)CC2)CC1
InChIInChI=1S/C18H37N3/c1-4-11-20-12-9-18(16-19,10-13-20)21-14-7-17(5-2,6-3)8-15-21/h4-16,19H2,1-3H3
InChIKeyXNWPFOWKZZVPDP-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.09
Rot. Bonds6

About [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine

[4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine (PubChem CID 63157147) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine
PubChem CID63157147
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name[4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine
SMILESCCCN1CCC(CN)(N2CCC(CC)(CC)CC2)CC1
InChIInChI=1S/C18H37N3/c1-4-11-20-12-9-18(16-19,10-13-20)21-14-7-17(5-2,6-3)8-15-21/h4-16,19H2,1-3H3
InChIKeyXNWPFOWKZZVPDP-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine
CID 61430079
[1-(4,4-diethylpiperidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562886
[4-(4,4-diethylpiperidin-1-yl)thian-4-yl]methanamine
CID 63156835
[1-(4,4-diethylpiperidin-1-yl)-4-propan-2-ylcyclohexyl]methanamine
CID 63467046
[3-(4,4-diethylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 55165075
7-(4,4-diethylpiperidin-1-yl)heptan-1-amine
CID 55159303
[3-(4-propylpiperazin-1-yl)oxolan-3-yl]methanamine
CID 63335770
[4-propan-2-yl-1-(4-propylpiperazin-1-yl)cycloheptyl]methanamine
CID 65091150
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
CID 65078792

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine (CID 63157147) is [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine is CCCN1CCC(CN)(N2CCC(CC)(CC)CC2)CC1.
What is the InChIKey of [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine?
The InChIKey is XNWPFOWKZZVPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-11-20-12-9-18(16-19,10-13-20)21-14-7-17(5-2,6-3)8-15-21/h4-16,19H2,1-3H3.
What are the key properties of [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine?
[4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine has a molecular weight of 295.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-diethylpiperidin-1-yl)-1-propylpiperidin-4-yl]methanamine is sourced from PubChem (CID 63157147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).