(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol

C21H29N3O — CID 95751286

IUPAC(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
SMILESCc1ncccc1CNCC1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H29N3O/c1-17-20(8-5-11-23-17)15-22-14-18-9-12-24(13-10-18)16-21(25)19-6-3-2-4-7-19/h2-8,11,18,21-22,25H,9-10,12-16H2,1H3/t21-/m0/s1
InChIKeyDJFXPAXWLJIWKE-NRFANRHFSA-N
MW339.48 g/mol
LogP2.93
Rot. Bonds7

About (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol

(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol (PubChem CID 95751286) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
PubChem CID95751286
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol
SMILESCc1ncccc1CNCC1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H29N3O/c1-17-20(8-5-11-23-17)15-22-14-18-9-12-24(13-10-18)16-21(25)19-6-3-2-4-7-19/h2-8,11,18,21-22,25H,9-10,12-16H2,1H3/t21-/m0/s1
InChIKeyDJFXPAXWLJIWKE-NRFANRHFSA-N
XLogP2.93
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol 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

(2R)-1-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274150
1-phenyl-2-[4-[[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]piperidin-1-yl]ethanol
CID 86903270
1-(4-methylpiperidin-1-yl)-3-[(2-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 111110859
(1R)-1-phenyl-2-[4-[(thiophen-2-ylmethylamino)methyl]piperidin-1-yl]ethanol
CID 95290947
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-phenylethanol
CID 78945281
(1R)-2-[4-[[(5-chloropyrimidin-2-yl)amino]methyl]piperidin-1-yl]-1-phenylethanol
CID 124743423
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
(2S)-1-[4-[[(2-ethoxyphenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95273065
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604
tert-butyl (3R)-3-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidine-1-carboxylate
CID 97351178
1-cyclohex-3-en-1-yl-N-[(2-methyl-3-pyridinyl)methyl]methanamine;hydrochloride
CID 115611314
2-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-1-phenylethanol
CID 91829068

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol (CID 95751286) is (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol is Cc1ncccc1CNCC1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol?
The InChIKey is DJFXPAXWLJIWKE-NRFANRHFSA-N. The full InChI is InChI=1S/C21H29N3O/c1-17-20(8-5-11-23-17)15-22-14-18-9-12-24(13-10-18)16-21(25)19-6-3-2-4-7-19/h2-8,11,18,21-22,25H,9-10,12-16H2,1H3/t21-/m0/s1.
What are the key properties of (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol?
(1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol has a molecular weight of 339.48 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[[(2-methyl-3-pyridinyl)methylamino]methyl]piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 95751286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).