N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine

C15H29N3 — CID 105365605

IUPACN-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCN(CC1CCNCC1)C1CCN2CCC1C2
InChIInChI=1S/C15H29N3/c1-2-18(11-13-3-7-16-8-4-13)15-6-10-17-9-5-14(15)12-17/h13-16H,2-12H2,1H3
InChIKeyOYYTVRMFKPVIQD-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.40
Rot. Bonds4

About N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine

N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105365605) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105365605
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCN(CC1CCNCC1)C1CCN2CCC1C2
InChIInChI=1S/C15H29N3/c1-2-18(11-13-3-7-16-8-4-13)15-6-10-17-9-5-14(15)12-17/h13-16H,2-12H2,1H3
InChIKeyOYYTVRMFKPVIQD-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,3-dimethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
CID 79715470
N-ethyl-1-methyl-N-(piperidin-4-ylmethyl)azepan-4-amine
CID 79715823
3-(piperidin-4-ylmethyl)-1-azabicyclo[2.2.2]octane
CID 86262815
4-[ethyl(piperidin-4-ylmethyl)amino]-1,1-dioxothiolan-3-ol
CID 79717139
N-ethyl-4-methyl-N-(piperidin-4-ylmethyl)cycloheptan-1-amine
CID 79715542
2-[1-azabicyclo[3.2.1]octan-4-yl(prop-2-enyl)amino]acetic acid
CID 105366214
N-(1-azabicyclo[3.2.1]octan-4-yl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105365542
N-ethyl-N-(piperidin-4-ylmethyl)thiolan-3-amine
CID 79715670
N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79715457
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-N-ethyl-N-methylacetamide
CID 79714454
N-ethyl-N-(piperidin-4-ylmethyl)cyclohex-2-en-1-amine
CID 114620607

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105365605) is N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine is CCN(CC1CCNCC1)C1CCN2CCC1C2.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is OYYTVRMFKPVIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-18(11-13-3-7-16-8-4-13)15-6-10-17-9-5-14(15)12-17/h13-16H,2-12H2,1H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 251.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105365605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).