4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde

C15H20N2O2 — CID 153331963

IUPAC4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde
SMILESO=Cc1cc(C2CC2)c(CN2CCC(O)CC2)cn1
InChIInChI=1S/C15H20N2O2/c18-10-13-7-15(11-1-2-11)12(8-16-13)9-17-5-3-14(19)4-6-17/h7-8,10-11,14,19H,1-6,9H2
InChIKeyWTCOPOBUYPEDSX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.73
Rot. Bonds4

About 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde

4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde (PubChem CID 153331963) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde
PubChem CID153331963
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde
SMILESO=Cc1cc(C2CC2)c(CN2CCC(O)CC2)cn1
InChIInChI=1S/C15H20N2O2/c18-10-13-7-15(11-1-2-11)12(8-16-13)9-17-5-3-14(19)4-6-17/h7-8,10-11,14,19H,1-6,9H2
InChIKeyWTCOPOBUYPEDSX-UHFFFAOYSA-N
XLogP1.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-cyclopropyl-5-[(3-hydroxy-3-methylazetidin-1-yl)methyl]pyridine-2-carbaldehyde
CID 153331906
4-cyclopropyl-5-[(1,3-dihydroxypropan-2-ylamino)methyl]pyridine-2-carbaldehyde
CID 153331915
4-cyclopropyl-5-[(3-hydroxypyrrolidin-1-yl)methyl]-N-[2-methyl-3-[2-methyl-3-(methylamino)phenyl]phenyl]pyridine-2-carboxamide
CID 167074675
1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 65417215
3-[3-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 76908251
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-4-ol
CID 171323981
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
1-[[2-(aminomethyl)-3-pyridinyl]methyl]piperidin-4-ol
CID 62888575
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidin-4-ol
CID 106993424
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
2-[1-[(2-cyclopropylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79983220
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 43375553

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde?
The IUPAC name of 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde (CID 153331963) is 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde is O=Cc1cc(C2CC2)c(CN2CCC(O)CC2)cn1.
What is the InChIKey of 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde?
The InChIKey is WTCOPOBUYPEDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-10-13-7-15(11-1-2-11)12(8-16-13)9-17-5-3-14(19)4-6-17/h7-8,10-11,14,19H,1-6,9H2.
What are the key properties of 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde?
4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde has a molecular weight of 260.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 153331963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).