N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine

C16H27N3O — CID 102959079

IUPACN-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCCC(OC)C2)cn1
InChIInChI=1S/C16H27N3O/c1-4-9-17-13(2)16-8-7-14(11-18-16)19-10-5-6-15(12-19)20-3/h7-8,11,13,15,17H,4-6,9-10,12H2,1-3H3
InChIKeyVRJPRCKPWPBXKP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds6

About N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 102959079) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID102959079
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCCC(OC)C2)cn1
InChIInChI=1S/C16H27N3O/c1-4-9-17-13(2)16-8-7-14(11-18-16)19-10-5-6-15(12-19)20-3/h7-8,11,13,15,17H,4-6,9-10,12H2,1-3H3
InChIKeyVRJPRCKPWPBXKP-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-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-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83122477
N-[1-[5-(3,4-dimethoxypyrrolidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 103534521
N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83123117
N-[1-(5-morpholin-4-yl-2-pyridinyl)ethyl]propan-1-amine
CID 83122279
N-[1-[3-bromo-4-(3-methoxypiperidin-1-yl)phenyl]ethyl]propan-1-amine
CID 102959023
N-[1-[5-(2,5-dimethylpiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83127393
N-[1-[2-(3-methoxypyrrolidin-1-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 103540233
1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122376
N-ethyl-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83131415
1-[5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83109204
N-[1-[5-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]ethyl]propan-1-amine
CID 103534460
N-ethyl-1-[2-(3-methoxypiperidin-1-yl)-4-pyridinyl]ethanamine
CID 102959126

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine (CID 102959079) is N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CCCC(OC)C2)cn1.
What is the InChIKey of N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is VRJPRCKPWPBXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-9-17-13(2)16-8-7-14(11-18-16)19-10-5-6-15(12-19)20-3/h7-8,11,13,15,17H,4-6,9-10,12H2,1-3H3.
What are the key properties of N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 102959079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).