3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol

C19H24N2O2 — CID 95552841

IUPAC3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
SMILESOCc1ccnc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)c1
InChIInChI=1S/C19H24N2O2/c22-13-15-6-8-21-19(11-15)16-9-14(10-18(23)12-16)4-5-17-3-1-2-7-20-17/h6,8-12,17,20,22-23H,1-5,7,13H2/t17-/m0/s1
InChIKeyWDCWUTHTTOLPTD-KRWDZBQOSA-N
MW312.41 g/mol
LogP3.02
Rot. Bonds5

About 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol

3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol (PubChem CID 95552841) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
PubChem CID95552841
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
SMILESOCc1ccnc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)c1
InChIInChI=1S/C19H24N2O2/c22-13-15-6-8-21-19(11-15)16-9-14(10-18(23)12-16)4-5-17-3-1-2-7-20-17/h6,8-12,17,20,22-23H,1-5,7,13H2/t17-/m0/s1
InChIKeyWDCWUTHTTOLPTD-KRWDZBQOSA-N
XLogP3.02
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-hydroxy-5-(2-piperidin-2-ylethyl)phenyl]pyridine-4-carboxamide
CID 56876819
3-(2-piperidin-2-ylethyl)-5-pyrimidin-2-ylphenol
CID 56750474
3-(2-methyl-4-pyridinyl)-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95554178
3-[6-(dimethylamino)pyrimidin-4-yl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol
CID 95558826
3-[6-(dimethylamino)pyridazin-3-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56878303
3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]-5-(2-piperidin-2-ylethyl)phenol
CID 56880401
3-(2-piperidin-2-ylethyl)-5-(1-propan-2-ylimidazol-2-yl)phenol
CID 56916448
[6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 95399160
[4-(2-piperidin-2-ylethyl)phenyl]methanol
CID 174898982
6-[3-hydroxy-5-[2-[(2S)-piperidin-2-yl]ethyl]phenyl]-N-propylpyridine-3-carboxamide
CID 95553212
3-[3-[(3-hydroxypropylamino)methyl]phenyl]-5-[2-[(2R)-piperidin-2-yl]ethyl]phenol
CID 95543072
6-[3-hydroxy-5-[2-[(2R)-piperidin-2-yl]ethyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
CID 95476511

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
The IUPAC name of 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol (CID 95552841) is 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol.
What is the SMILES notation for 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
The canonical SMILES for 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol is OCc1ccnc(-c2cc(O)cc(CC[C@@H]3CCCCN3)c2)c1.
What is the InChIKey of 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
The InChIKey is WDCWUTHTTOLPTD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-13-15-6-8-21-19(11-15)16-9-14(10-18(23)12-16)4-5-17-3-1-2-7-20-17/h6,8-12,17,20,22-23H,1-5,7,13H2/t17-/m0/s1.
What are the key properties of 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol?
3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol has a molecular weight of 312.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-2-pyridinyl]-5-[2-[(2S)-piperidin-2-yl]ethyl]phenol is sourced from PubChem (CID 95552841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).