[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol

C17H28N2O — CID 62120166

IUPAC[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
SMILESCc1cc(CNC(C)C)ccc1N1CCCC(CO)C1
InChIInChI=1S/C17H28N2O/c1-13(2)18-10-15-6-7-17(14(3)9-15)19-8-4-5-16(11-19)12-20/h6-7,9,13,16,18,20H,4-5,8,10-12H2,1-3H3
InChIKeyNODSHBMTOMOGFT-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.70
Rot. Bonds5

About [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol

[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol (PubChem CID 62120166) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
PubChem CID62120166
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol
SMILESCc1cc(CNC(C)C)ccc1N1CCCC(CO)C1
InChIInChI=1S/C17H28N2O/c1-13(2)18-10-15-6-7-17(14(3)9-15)19-8-4-5-16(11-19)12-20/h6-7,9,13,16,18,20H,4-5,8,10-12H2,1-3H3
InChIKeyNODSHBMTOMOGFT-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-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

Frequently Asked Questions

What is the IUPAC name of [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol (CID 62120166) is [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol is Cc1cc(CNC(C)C)ccc1N1CCCC(CO)C1.
What is the InChIKey of [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol?
The InChIKey is NODSHBMTOMOGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)18-10-15-6-7-17(14(3)9-15)19-8-4-5-16(11-19)12-20/h6-7,9,13,16,18,20H,4-5,8,10-12H2,1-3H3.
What are the key properties of [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol?
[1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol has a molecular weight of 276.42 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-3-yl]methanol is sourced from PubChem (CID 62120166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).