4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol

C12H22N2O — CID 114460113

IUPAC4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
SMILESCC1=CCN(CC2(O)CCNCC2)CC1
InChIInChI=1S/C12H22N2O/c1-11-2-8-14(9-3-11)10-12(15)4-6-13-7-5-12/h2,13,15H,3-10H2,1H3
InChIKeyMGMKHHSUWIMPET-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.75
Rot. Bonds2

About 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol

4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol (PubChem CID 114460113) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
PubChem CID114460113
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
SMILESCC1=CCN(CC2(O)CCNCC2)CC1
InChIInChI=1S/C12H22N2O/c1-11-2-8-14(9-3-11)10-12(15)4-6-13-7-5-12/h2,13,15H,3-10H2,1H3
InChIKeyMGMKHHSUWIMPET-UHFFFAOYSA-N
XLogP0.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]piperidin-4-ol
CID 114489984
(Z)-1-[4-(aminomethyl)piperidin-1-yl]pent-2-en-2-ol
CID 142118024
4-[5-(1-Aminoethyl)-1,2-dihydropyridin-2-yl]-1-methylpiperidin-4-ol
CID 143709591
4-(Aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol
CID 145044472
4-methylpiperidin-4-ol;(E)-non-4-ene
CID 170590699
4-(Methylaminomethyl)-1-prop-2-enylpiperidin-4-ol
CID 82281000
4-(Aminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]piperidin-4-ol
CID 82292267
1-[2-(Cyclohexen-1-yl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95462753
3-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylpiperidin-4-ol
CID 114249783
4-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol
CID 114460137
1-(Cyclohex-1-EN-1-ylmethyl)-4-[(dimethylamino)methyl]piperidin-4-OL
CID 129614978
4-(2,5-dihydro-1H-pyrrol-2-yl)-1-methylpiperidin-4-ol
CID 130510171

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol?
The IUPAC name of 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol (CID 114460113) is 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol is CC1=CCN(CC2(O)CCNCC2)CC1.
What is the InChIKey of 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol?
The InChIKey is MGMKHHSUWIMPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11-2-8-14(9-3-11)10-12(15)4-6-13-7-5-12/h2,13,15H,3-10H2,1H3.
What are the key properties of 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol?
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol has a molecular weight of 210.32 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114460113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).