1-piperidin-2-ylheptan-2-ol

C12H25NO — CID 14021662

IUPAC1-piperidin-2-ylheptan-2-ol
SMILESCCCCCC(O)CC1CCCCN1
InChIInChI=1S/C12H25NO/c1-2-3-4-8-12(14)10-11-7-5-6-9-13-11/h11-14H,2-10H2,1H3
InChIKeyJBGNJPYDPXFHEX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.46
Rot. Bonds6

About 1-piperidin-2-ylheptan-2-ol

1-piperidin-2-ylheptan-2-ol (PubChem CID 14021662) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-piperidin-2-ylheptan-2-ol.

Molecular Properties

Compound Name1-piperidin-2-ylheptan-2-ol
PubChem CID14021662
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-piperidin-2-ylheptan-2-ol
SMILESCCCCCC(O)CC1CCCCN1
InChIInChI=1S/C12H25NO/c1-2-3-4-8-12(14)10-11-7-5-6-9-13-11/h11-14H,2-10H2,1H3
InChIKeyJBGNJPYDPXFHEX-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
(2R)-1-[(2S,6R)-6-[(2R)-2-hydroxyhexyl]piperidin-2-yl]hexan-2-ol
CID 11108896
(2S)-2-(2-methyloctyl)pyrrolidine
CID 146488139
1-cycloheptyloctan-2-ol
CID 115783533
1-piperidin-2-ylhexadecan-1-ol
CID 23497732
N-methyl-N-(piperidin-2-ylmethyl)heptan-2-amine
CID 106623140
2-tetradecylpiperidine
CID 151771246
tetradecan-7-yl piperidine-2-carboxylate
CID 167096260
2-heptadecylazepane
CID 4009189
acetic acid;but-1-ene;ethane;methane;1-pyrrolidin-2-ylpentan-2-ol
CID 142059097
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
2-(2-hydroxyhexyl)cyclohexan-1-ol
CID 73083191

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-ylheptan-2-ol?
The IUPAC name of 1-piperidin-2-ylheptan-2-ol (CID 14021662) is 1-piperidin-2-ylheptan-2-ol.
What is the SMILES notation for 1-piperidin-2-ylheptan-2-ol?
The canonical SMILES for 1-piperidin-2-ylheptan-2-ol is CCCCCC(O)CC1CCCCN1.
What is the InChIKey of 1-piperidin-2-ylheptan-2-ol?
The InChIKey is JBGNJPYDPXFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-2-3-4-8-12(14)10-11-7-5-6-9-13-11/h11-14H,2-10H2,1H3.
What are the key properties of 1-piperidin-2-ylheptan-2-ol?
1-piperidin-2-ylheptan-2-ol has a molecular weight of 199.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-ylheptan-2-ol is sourced from PubChem (CID 14021662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).