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

C15H27NO — CID 106651592

IUPAC2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)C1=CCCCCC1
InChIInChI=1S/C15H27NO/c1-15(17,12-14-10-6-7-11-16-14)13-8-4-2-3-5-9-13/h8,14,16-17H,2-7,9-12H2,1H3
InChIKeyIVVFTRAQTHCWQP-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds3

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

2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol (PubChem CID 106651592) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol
PubChem CID106651592
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol
SMILESCC(O)(CC1CCCCN1)C1=CCCCCC1
InChIInChI=1S/C15H27NO/c1-15(17,12-14-10-6-7-11-16-14)13-8-4-2-3-5-9-13/h8,14,16-17H,2-7,9-12H2,1H3
InChIKeyIVVFTRAQTHCWQP-UHFFFAOYSA-N
XLogP3.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
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

4-(2,6-Diallyl-1,2,3,6-tetrahydro-4-pyridinyl)-1,6-heptadien-4-ol
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CID 79190119
4-(Cyclohepta-1,3-dien-1-ylmethyl)piperidin-4-ol
CID 91096213
4-(3-Cyclohepta-1,4,6-trien-1-ylpropyl)piperidin-4-ol;ethane;pentane;prop-1-ene
CID 144056536
3-(5-Methylpiperidin-2-yl)cyclohex-2-en-1-ol
CID 164752961
4-[2,6-Bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol
CID 2835124
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-1-ium-4-yl]hepta-1,6-dien-4-ol
CID 21609632
4-[(2R,6S)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol
CID 40500724
4-[(2R,6R)-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridin-4-yl]hepta-1,6-dien-4-ol
CID 40500726

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol?
The IUPAC name of 2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol (CID 106651592) is 2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol.
What is the SMILES notation for 2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol?
The canonical SMILES for 2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol is CC(O)(CC1CCCCN1)C1=CCCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol?
The InChIKey is IVVFTRAQTHCWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(17,12-14-10-6-7-11-16-14)13-8-4-2-3-5-9-13/h8,14,16-17H,2-7,9-12H2,1H3.
What are the key properties of 2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol?
2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol has a molecular weight of 237.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)-1-piperidin-2-ylpropan-2-ol is sourced from PubChem (CID 106651592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).