8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C17H33N3 — CID 62740031

IUPAC8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CC1CCN(C)CC1
InChIInChI=1S/C17H33N3/c1-3-8-18-15-11-16-4-5-17(12-15)20(16)13-14-6-9-19(2)10-7-14/h14-18H,3-13H2,1-2H3
InChIKeyZBTPUOHFKIMKRL-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.32
Rot. Bonds5

About 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740031) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740031
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2CC1CCN(C)CC1
InChIInChI=1S/C17H33N3/c1-3-8-18-15-11-16-4-5-17(12-15)20(16)13-14-6-9-19(2)10-7-14/h14-18H,3-13H2,1-2H3
InChIKeyZBTPUOHFKIMKRL-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-8-[(1-methylpiperidin-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 55106669
8-(oxolan-3-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62824400
8-butyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741055
N-ethyl-8-[(4-ethylcyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 62738650
8-(oxolan-2-ylmethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106138
(3R)-1-methyl-N-propylpyrrolidin-3-amine
CID 93285609
9-(cyclobutylmethyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713983
N-ethyl-8-[(4-methylmorpholin-2-yl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 79071084
8-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738979
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-propylcyclopentan-1-amine
CID 79643309
3-(4-methyl-1,4-diazepan-1-yl)-N-propylcyclopentan-1-amine
CID 79642937
N-propyl-8-(1-propylpiperidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740549

Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62740031) is 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2CC1CCN(C)CC1.
What is the InChIKey of 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZBTPUOHFKIMKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-8-18-15-11-16-4-5-17(12-15)20(16)13-14-6-9-19(2)10-7-14/h14-18H,3-13H2,1-2H3.
What are the key properties of 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 279.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylpiperidin-4-yl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).