4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol

C15H26N2O — CID 126822571

IUPAC4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol
SMILESC#CC1(O)CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C15H26N2O/c1-2-15(18)7-13-17(14-8-15)12-6-11-16-9-4-3-5-10-16/h1,18H,3-14H2
InChIKeyFIBPXOKTJQPSGZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.32
Rot. Bonds4

About 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol

4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol (PubChem CID 126822571) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol.

Molecular Properties

Compound Name4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol
PubChem CID126822571
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol
SMILESC#CC1(O)CCN(CCCN2CCCCC2)CC1
InChIInChI=1S/C15H26N2O/c1-2-15(18)7-13-17(14-8-15)12-6-11-16-9-4-3-5-10-16/h1,18H,3-14H2
InChIKeyFIBPXOKTJQPSGZ-UHFFFAOYSA-N
XLogP1.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-1-propylpiperidin-4-ol
CID 64915760
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acetylene;3-piperidin-1-ylpropan-1-ol
CID 162683866
3-ethynyl-1-(3-methylbutyl)pyrrolidin-3-ol
CID 130992083
1-(6-piperidin-1-ylhexyl)piperidine bromide
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4-(3-ethynyl-3-hydroxypyrrolidin-1-yl)butan-2-one
CID 131207055
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609
1-pent-4-ynylpyrrolidine
CID 82363312
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
4-(4-piperidin-1-ylbutyl)thiomorpholine
CID 173179038
10-piperidin-1-yldecan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol?
The IUPAC name of 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol (CID 126822571) is 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol.
What is the SMILES notation for 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol?
The canonical SMILES for 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol is C#CC1(O)CCN(CCCN2CCCCC2)CC1.
What is the InChIKey of 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol?
The InChIKey is FIBPXOKTJQPSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-15(18)7-13-17(14-8-15)12-6-11-16-9-4-3-5-10-16/h1,18H,3-14H2.
What are the key properties of 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol?
4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol has a molecular weight of 250.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(3-piperidin-1-ylpropyl)piperidin-4-ol is sourced from PubChem (CID 126822571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).