(3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol

C14H26N4O — CID 95896734

IUPAC(3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol
SMILESCN(CCCc1nccn1C)C[C@]1(O)CCCNC1
InChIInChI=1S/C14H26N4O/c1-17(12-14(19)6-4-7-15-11-14)9-3-5-13-16-8-10-18(13)2/h8,10,15,19H,3-7,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyHMCMFLZSXLZSEH-AWEZNQCLSA-N
MW266.39 g/mol
LogP0.40
Rot. Bonds6

About (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol

(3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol (PubChem CID 95896734) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol
PubChem CID95896734
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name(3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol
SMILESCN(CCCc1nccn1C)C[C@]1(O)CCCNC1
InChIInChI=1S/C14H26N4O/c1-17(12-14(19)6-4-7-15-11-14)9-3-5-13-16-8-10-18(13)2/h8,10,15,19H,3-7,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyHMCMFLZSXLZSEH-AWEZNQCLSA-N
XLogP0.40
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol?
The IUPAC name of (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol (CID 95896734) is (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol.
What is the SMILES notation for (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol?
The canonical SMILES for (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol is CN(CCCc1nccn1C)C[C@]1(O)CCCNC1.
What is the InChIKey of (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol?
The InChIKey is HMCMFLZSXLZSEH-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26N4O/c1-17(12-14(19)6-4-7-15-11-14)9-3-5-13-16-8-10-18(13)2/h8,10,15,19H,3-7,9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol?
(3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol has a molecular weight of 266.39 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[methyl-[3-(1-methylimidazol-2-yl)propyl]amino]methyl]piperidin-3-ol is sourced from PubChem (CID 95896734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).