2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride

C18H30ClNO — CID 2920540

IUPAC2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCCCC1)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C18H29NO.ClH/c20-17(13-19-6-2-1-3-7-19)18-10-14-4-5-15(11-18)9-16(8-14)12-18;/h14-16H,1-13H2;1H
InChIKeyHPVLOOLGXJTYCT-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.07
Rot. Bonds3

About 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride

2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride (PubChem CID 2920540) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
PubChem CID2920540
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCCCC1)C12CC3CCC(CC(C3)C1)C2
InChIInChI=1S/C18H29NO.ClH/c20-17(13-19-6-2-1-3-7-19)18-10-14-4-5-15(11-18)9-16(8-14)12-18;/h14-16H,1-13H2;1H
InChIKeyHPVLOOLGXJTYCT-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The IUPAC name of 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride (CID 2920540) is 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride.
What is the SMILES notation for 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The canonical SMILES for 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride is Cl.O=C(CN1CCCCC1)C12CC3CCC(CC(C3)C1)C2.
What is the InChIKey of 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
The InChIKey is HPVLOOLGXJTYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO.ClH/c20-17(13-19-6-2-1-3-7-19)18-10-14-4-5-15(11-18)9-16(8-14)12-18;/h14-16H,1-13H2;1H.
What are the key properties of 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride?
2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride has a molecular weight of 311.90 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1-(1-tricyclo[4.3.1.13,8]undecanyl)ethanone;hydrochloride is sourced from PubChem (CID 2920540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).