4-(2,6-dimethylpiperidin-1-yl)butan-1-ol

C11H23NO — CID 19867661

IUPAC4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
SMILESCC1CCCC(C)N1CCCCO
InChIInChI=1S/C11H23NO/c1-10-6-5-7-11(2)12(10)8-3-4-9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyPXKHKDPKKROFIS-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds4

About 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol

4-(2,6-dimethylpiperidin-1-yl)butan-1-ol (PubChem CID 19867661) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
PubChem CID19867661
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(2,6-dimethylpiperidin-1-yl)butan-1-ol
SMILESCC1CCCC(C)N1CCCCO
InChIInChI=1S/C11H23NO/c1-10-6-5-7-11(2)12(10)8-3-4-9-13/h10-11,13H,3-9H2,1-2H3
InChIKeyPXKHKDPKKROFIS-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
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

1-hexyl-2,6-dimethylpiperidine
CID 6428887
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-amine
CID 7176132
5-(3,5-dimethylmorpholin-4-yl)pentan-1-ol
CID 111452494
2-amino-6-(2,6-dimethylpiperidin-1-yl)-2-methylhexan-1-ol
CID 64797401
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
3-(2,6-dimethylpiperidin-1-yl)-N-methylpropan-1-amine
CID 61386862
2,6-dimethyl-1-pent-4-ynylpiperidine
CID 115873069
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60868216
2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide
CID 104968697
2-(2,6-dimethylpiperidin-1-yl)ethanethiol
CID 19607260
4-(2,6-dimethylpiperidin-1-yl)-N'-hydroxybutanimidamide
CID 24711265

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol?
The IUPAC name of 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol (CID 19867661) is 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol?
The canonical SMILES for 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol is CC1CCCC(C)N1CCCCO.
What is the InChIKey of 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol?
The InChIKey is PXKHKDPKKROFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10-6-5-7-11(2)12(10)8-3-4-9-13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol?
4-(2,6-dimethylpiperidin-1-yl)butan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidin-1-yl)butan-1-ol is sourced from PubChem (CID 19867661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).