5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol

C12H25NO — CID 115873446

IUPAC5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
SMILESCC1CCN(CCCCCO)CC1C
InChIInChI=1S/C12H25NO/c1-11-6-8-13(10-12(11)2)7-4-3-5-9-14/h11-12,14H,3-10H2,1-2H3
InChIKeyVVCIQQLJDBQSOF-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.13
Rot. Bonds5

About 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol

5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol (PubChem CID 115873446) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
PubChem CID115873446
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol
SMILESCC1CCN(CCCCCO)CC1C
InChIInChI=1S/C12H25NO/c1-11-6-8-13(10-12(11)2)7-4-3-5-9-14/h11-12,14H,3-10H2,1-2H3
InChIKeyVVCIQQLJDBQSOF-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dimethylpiperidin-1-yl)butanoic acid
CID 115873359
6-(3-ethylpyrrolidin-1-yl)hexan-1-ol
CID 103748114
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
3-[3-methyl-4-(methylamino)piperidin-1-yl]propan-1-ol
CID 114499058
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103815424
1-hexyl-3,4,5-trimethylazepane
CID 130243666
5-[3-(hydroxymethyl)piperidin-1-yl]pentan-1-ol
CID 62229344
(3R)-1-(3-hydroxypropyl)pyrrolidin-3-ol
CID 68991646
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
CID 124862124
4-(3-methylazetidin-1-yl)butan-1-ol
CID 106844124

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol?
The IUPAC name of 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol (CID 115873446) is 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol?
The canonical SMILES for 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol is CC1CCN(CCCCCO)CC1C.
What is the InChIKey of 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol?
The InChIKey is VVCIQQLJDBQSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11-6-8-13(10-12(11)2)7-4-3-5-9-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol?
5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpiperidin-1-yl)pentan-1-ol is sourced from PubChem (CID 115873446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).