(4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol

C14H25NO — CID 163485702

IUPAC(4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol
SMILESCC1=CCC(C(O)C2CCN(C)CC2)CC1
InChIInChI=1S/C14H25NO/c1-11-3-5-12(6-4-11)14(16)13-7-9-15(2)10-8-13/h3,12-14,16H,4-10H2,1-2H3
InChIKeyCIIPEOHKERXOEK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.44
Rot. Bonds2

About (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol

(4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol (PubChem CID 163485702) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol
PubChem CID163485702
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol
SMILESCC1=CCC(C(O)C2CCN(C)CC2)CC1
InChIInChI=1S/C14H25NO/c1-11-3-5-12(6-4-11)14(16)13-7-9-15(2)10-8-13/h3,12-14,16H,4-10H2,1-2H3
InChIKeyCIIPEOHKERXOEK-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-Isopropenyl-1-cyclohexen-1-yl)methyl]-4-piperidinol
CID 2846086
1-[3-(Dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol;hydrochloride
CID 90677945
(4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
CID 162985984
Cambridge id 5429856
CID 783454
1-(3-Cyclohexen-1-ylmethyl)-3-piperidinol
CID 2845911
4,7-Dihydro-1-(3-piperidinopropyl)-2-indanol
CID 12393829
1-[3-(Dimethylamino)propyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 12393833
4-(1-Methylpiperidin-3-yl)-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 20387360
2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)-1-methylpiperidine
CID 20387378
2-[2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)ethyl]-1-methylpiperidine
CID 20387388
3-[(1-Methylpiperidin-2-yl)methyl]-1,2,3,4,5,8-hexahydronaphthalen-2-ol
CID 20387389
1-(2-piperidin-1-ylethyl)-2,3,4,7-tetrahydro-1H-inden-2-ol
CID 20388039

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol?
The IUPAC name of (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol (CID 163485702) is (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol.
What is the SMILES notation for (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol?
The canonical SMILES for (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol is CC1=CCC(C(O)C2CCN(C)CC2)CC1.
What is the InChIKey of (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol?
The InChIKey is CIIPEOHKERXOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-3-5-12(6-4-11)14(16)13-7-9-15(2)10-8-13/h3,12-14,16H,4-10H2,1-2H3.
What are the key properties of (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol?
(4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol has a molecular weight of 223.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol is sourced from PubChem (CID 163485702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).