2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol

C16H29NO — CID 106651590

IUPAC2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)C1=CCCCCCC1
InChIInChI=1S/C16H29NO/c1-16(18,13-15-11-7-8-12-17-15)14-9-5-3-2-4-6-10-14/h9,15,17-18H,2-8,10-13H2,1H3
InChIKeyIDQPBIHMJIZSQP-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.55
Rot. Bonds3

About 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol

2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol (PubChem CID 106651590) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol
PubChem CID106651590
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)C1=CCCCCCC1
InChIInChI=1S/C16H29NO/c1-16(18,13-15-11-7-8-12-17-15)14-9-5-3-2-4-6-10-14/h9,15,17-18H,2-8,10-13H2,1H3
InChIKeyIDQPBIHMJIZSQP-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152761
4-[2,6-Bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol
CID 2835124
4-(2,6-Diallyl-1,2,5,6-tetrahydro-3-pyridinyl)-1,6-heptadien-4-ol
CID 6611709
4-[(2S,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]hepta-1,6-dien-4-ol
CID 7311300
4-[(2S,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol
CID 11054858
(2S,4R)-2-methyl-4-[(E)-prop-1-enyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
CID 12883327
4-[(2S,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-5-yl]hepta-1,6-dien-4-ol
CID 15366711
4-[(2S,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-5-yl]hepta-1,6-dien-4-ol
CID 15366712
4-[(2S,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-1-ium-4-yl]hepta-1,6-dien-4-ol
CID 21609632
4-[(2R,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-5-yl]hepta-1,6-dien-4-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol?
The IUPAC name of 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol (CID 106651590) is 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol.
What is the SMILES notation for 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol?
The canonical SMILES for 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol is CC(O)(CC1CCCCN1)C1=CCCCCCC1.
What is the InChIKey of 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol?
The InChIKey is IDQPBIHMJIZSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-16(18,13-15-11-7-8-12-17-15)14-9-5-3-2-4-6-10-14/h9,15,17-18H,2-8,10-13H2,1H3.
What are the key properties of 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol?
2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol has a molecular weight of 251.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloocten-1-yl)-1-piperidin-2-ylpropan-2-ol is sourced from PubChem (CID 106651590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).