4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride

C16H28ClNO — CID 2858113

IUPAC4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride
SMILESC1CN(CC23CC4CCC(CC(C4)C2)C3)CCO1.Cl
InChIInChI=1S/C16H27NO.ClH/c1-2-14-8-15-7-13(1)9-16(10-14,11-15)12-17-3-5-18-6-4-17;/h13-15H,1-12H2;1H
InChIKeyWKXWXBLLYIZXAE-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.35
Rot. Bonds2

About 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride

4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride (PubChem CID 2858113) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride
PubChem CID2858113
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC Name4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride
SMILESC1CN(CC23CC4CCC(CC(C4)C2)C3)CCO1.Cl
InChIInChI=1S/C16H27NO.ClH/c1-2-14-8-15-7-13(1)9-16(10-14,11-15)12-17-3-5-18-6-4-17;/h13-15H,1-12H2;1H
InChIKeyWKXWXBLLYIZXAE-UHFFFAOYSA-N
XLogP3.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride?
The IUPAC name of 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride (CID 2858113) is 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride.
What is the SMILES notation for 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride?
The canonical SMILES for 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride is C1CN(CC23CC4CCC(CC(C4)C2)C3)CCO1.Cl.
What is the InChIKey of 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride?
The InChIKey is WKXWXBLLYIZXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.ClH/c1-2-14-8-15-7-13(1)9-16(10-14,11-15)12-17-3-5-18-6-4-17;/h13-15H,1-12H2;1H.
What are the key properties of 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride?
4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride has a molecular weight of 285.86 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tricyclo[4.3.1.13,8]undecanylmethyl)morpholine;hydrochloride is sourced from PubChem (CID 2858113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).