[1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol

C16H27N3O — CID 111114758

IUPAC[1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol
SMILESCc1ncccc1CNCCCCN1CCCC1CO
InChIInChI=1S/C16H27N3O/c1-14-15(6-4-9-18-14)12-17-8-2-3-10-19-11-5-7-16(19)13-20/h4,6,9,16-17,20H,2-3,5,7-8,10-13H2,1H3
InChIKeyMHNYUUSRUSANKY-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.72
Rot. Bonds8

About [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol

[1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol (PubChem CID 111114758) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol
PubChem CID111114758
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol
SMILESCc1ncccc1CNCCCCN1CCCC1CO
InChIInChI=1S/C16H27N3O/c1-14-15(6-4-9-18-14)12-17-8-2-3-10-19-11-5-7-16(19)13-20/h4,6,9,16-17,20H,2-3,5,7-8,10-13H2,1H3
InChIKeyMHNYUUSRUSANKY-UHFFFAOYSA-N
XLogP1.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol 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-[(2-methyl-3-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 112689529
[1-[4-(1H-indol-4-ylmethylamino)butyl]pyrrolidin-2-yl]methanol
CID 119128688
[1-[4-[(2,5-difluorophenyl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114718
[1-[4-[(5-bromothiophen-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114765
[1-[4-[(5-phenylfuran-2-yl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 119128697
[1-[4-[(2-chloro-6-fluorophenyl)methylamino]butyl]pyrrolidin-2-yl]methanol
CID 111114761
2-cyclopentyl-N-[(2-methyl-3-pyridinyl)methyl]ethanamine;hydrochloride
CID 115611231
1-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-phenylurea
CID 97016233
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843
[1-[4-(propan-2-ylamino)butyl]pyrrolidin-2-yl]methanol
CID 115905715
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
[1-[4-(cycloheptylamino)butyl]pyrrolidin-2-yl]methanol
CID 111114732

Frequently Asked Questions

What is the IUPAC name of [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol (CID 111114758) is [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol is Cc1ncccc1CNCCCCN1CCCC1CO.
What is the InChIKey of [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol?
The InChIKey is MHNYUUSRUSANKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14-15(6-4-9-18-14)12-17-8-2-3-10-19-11-5-7-16(19)13-20/h4,6,9,16-17,20H,2-3,5,7-8,10-13H2,1H3.
What are the key properties of [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol?
[1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol has a molecular weight of 277.41 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[(2-methyl-3-pyridinyl)methylamino]butyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 111114758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).