[4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol

C14H27NO — CID 104695294

IUPAC[4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol
SMILESC=CCC(C)C(C)N1CCC(C)(CO)CC1
InChIInChI=1S/C14H27NO/c1-5-6-12(2)13(3)15-9-7-14(4,11-16)8-10-15/h5,12-13,16H,1,6-11H2,2-4H3
InChIKeyRDQAODOKKZTLRX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.68
Rot. Bonds5

About [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol

[4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol (PubChem CID 104695294) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol
PubChem CID104695294
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol
SMILESC=CCC(C)C(C)N1CCC(C)(CO)CC1
InChIInChI=1S/C14H27NO/c1-5-6-12(2)13(3)15-9-7-14(4,11-16)8-10-15/h5,12-13,16H,1,6-11H2,2-4H3
InChIKeyRDQAODOKKZTLRX-UHFFFAOYSA-N
XLogP2.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.68
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

2,2,2-Trifluoro-1-(1-hept-6-en-2-ylpiperidin-4-yl)ethanol
CID 109967149
1,3-Dimethyl-3-prop-2-enylpiperidin-4-ol
CID 20616580
(1-Phosphanyl-4-prop-2-enylpiperidin-4-yl)methanol
CID 58683612
Lanthanum;(4-prop-2-enylpiperidin-1-id-4-yl)methanol
CID 59312011
(1-But-3-en-2-ylpiperidin-4-yl)methanol
CID 61517704
1-(1-Propan-2-ylpiperidin-4-yl)ethenol
CID 89751395
(3S,4R)-4-ethenyl-1-ethyl-4-methylpiperidin-3-ol
CID 143448093
[1-Methyl-4-(prop-2-en-1-yl)piperidin-4-yl]methanol
CID 143739834
1-(1-Methylpiperidin-4-yl)prop-2-en-1-ol
CID 144043856
[1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-methylpiperidin-4-yl]methanol
CID 145440061
1-(3-Ethylhex-5-en-2-yl)piperidin-4-ol
CID 145590016
(4-Ethenyl-1-pentylpiperidin-4-yl)methanol
CID 167131750

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol?
The IUPAC name of [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol (CID 104695294) is [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol?
The canonical SMILES for [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol is C=CCC(C)C(C)N1CCC(C)(CO)CC1.
What is the InChIKey of [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol?
The InChIKey is RDQAODOKKZTLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-6-12(2)13(3)15-9-7-14(4,11-16)8-10-15/h5,12-13,16H,1,6-11H2,2-4H3.
What are the key properties of [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol?
[4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(3-methylhex-5-en-2-yl)piperidin-4-yl]methanol is sourced from PubChem (CID 104695294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).