1-piperidin-1-ylhept-2-yn-4-ol

C12H21NO — CID 3736986

IUPAC1-piperidin-1-ylhept-2-yn-4-ol
SMILESCCCC(O)C#CCN1CCCCC1
InChIInChI=1S/C12H21NO/c1-2-7-12(14)8-6-11-13-9-4-3-5-10-13/h12,14H,2-5,7,9-11H2,1H3
InChIKeyXOPFRFKLELDPCW-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.64
Rot. Bonds3

About 1-piperidin-1-ylhept-2-yn-4-ol

1-piperidin-1-ylhept-2-yn-4-ol (PubChem CID 3736986) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-piperidin-1-ylhept-2-yn-4-ol.

Molecular Properties

Compound Name1-piperidin-1-ylhept-2-yn-4-ol
PubChem CID3736986
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-piperidin-1-ylhept-2-yn-4-ol
SMILESCCCC(O)C#CCN1CCCCC1
InChIInChI=1S/C12H21NO/c1-2-7-12(14)8-6-11-13-9-4-3-5-10-13/h12,14H,2-5,7,9-11H2,1H3
InChIKeyXOPFRFKLELDPCW-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Prop-2-yn-1-yl)piperidin-4-ol
CID 18616723
1-Butylpiperidin-3-ol
CID 98962
1-Propylpiperidin-4-ol
CID 13665269
1-Propyl-3-piperidinol
CID 15105446
4-Hydroxy-N,N-dimethylpiperidinium
CID 428683
6-Piperidino-4-hexyn-2-ol
CID 2865300
5-(Piperidin-1-yl)pent-3-yn-1-ol
CID 4321073
5-(2,6-Dimethylpiperidin-1-yl)pent-3-yn-2-ol hydrochloride
CID 2835454
5-(2,6-Dimethylpiperidin-1-yl)pent-3-yn-2-ol
CID 2835455
Cambridge id 5730798
CID 2865299
Cambridge id 5737256
CID 2865779
6-(Piperidin-1-yl)hex-4-yn-3-ol
CID 2865780

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylhept-2-yn-4-ol?
The IUPAC name of 1-piperidin-1-ylhept-2-yn-4-ol (CID 3736986) is 1-piperidin-1-ylhept-2-yn-4-ol.
What is the SMILES notation for 1-piperidin-1-ylhept-2-yn-4-ol?
The canonical SMILES for 1-piperidin-1-ylhept-2-yn-4-ol is CCCC(O)C#CCN1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylhept-2-yn-4-ol?
The InChIKey is XOPFRFKLELDPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-7-12(14)8-6-11-13-9-4-3-5-10-13/h12,14H,2-5,7,9-11H2,1H3.
What are the key properties of 1-piperidin-1-ylhept-2-yn-4-ol?
1-piperidin-1-ylhept-2-yn-4-ol has a molecular weight of 195.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylhept-2-yn-4-ol is sourced from PubChem (CID 3736986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).