cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol

C17H33NO — CID 124555057

IUPACcis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
SMILESO[C@@H]1CCCCCCCCCC[C@@H]1N1CCCCC1
InChIInChI=1S/C17H33NO/c19-17-13-9-6-4-2-1-3-5-8-12-16(17)18-14-10-7-11-15-18/h16-17,19H,1-15H2/t16-,17+/m0/s1
InChIKeyCRCYFXLHCXGHTC-DLBZAZTESA-N
MW267.46 g/mol
LogP4.12
Rot. Bonds1

About cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol

cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol (PubChem CID 124555057) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
PubChem CID124555057
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Namecis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol
SMILESO[C@@H]1CCCCCCCCCC[C@@H]1N1CCCCC1
InChIInChI=1S/C17H33NO/c19-17-13-9-6-4-2-1-3-5-8-12-16(17)18-14-10-7-11-15-18/h16-17,19H,1-15H2/t16-,17+/m0/s1
InChIKeyCRCYFXLHCXGHTC-DLBZAZTESA-N
XLogP4.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 23656399
trans-(1R,2R)-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 10103566
trans-(1S,2S)-2-piperidin-1-ylcyclopentan-1-ol
CID 54511107
cis-(1S,2R)-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 93317277
trans-(1R,2R)-2-(azepan-1-yl)cyclobutan-1-ol
CID 131701520
2-(1,4-oxazepan-4-yl)cyclododecan-1-ol
CID 62972583
trans-(1R,2R)-2-(1,4-diazepan-1-yl)cyclohexan-1-ol
CID 93346121
2-(4,4-dimethylpiperidin-1-yl)cyclooctan-1-ol
CID 62930764
cis-(1R,2S)-2-(4-aminopiperidin-1-yl)cyclohexan-1-ol
CID 93346127
cis-(1S,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 129365578
trans-(1R,2R)-2-(4-methylpiperazin-1-yl)cyclohexan-1-ol
CID 13447994
1-(2-hydroxycyclohexyl)piperidine-4-carbaldehyde
CID 62656809

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol?
The IUPAC name of cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol (CID 124555057) is cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol is O[C@@H]1CCCCCCCCCC[C@@H]1N1CCCCC1.
What is the InChIKey of cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol?
The InChIKey is CRCYFXLHCXGHTC-DLBZAZTESA-N. The full InChI is InChI=1S/C17H33NO/c19-17-13-9-6-4-2-1-3-5-8-12-16(17)18-14-10-7-11-15-18/h16-17,19H,1-15H2/t16-,17+/m0/s1.
What are the key properties of cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol?
cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol has a molecular weight of 267.46 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-piperidin-1-ylcyclododecan-1-ol is sourced from PubChem (CID 124555057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).