1-cyclodecyl-4-phenylpiperidine;hydrochloride

C21H34ClN — CID 70215634

IUPAC1-cyclodecyl-4-phenylpiperidine;hydrochloride
SMILESCl.c1ccc(C2CCN(C3CCCCCCCCC3)CC2)cc1
InChIInChI=1S/C21H33N.ClH/c1-2-4-9-13-21(14-10-5-3-1)22-17-15-20(16-18-22)19-11-7-6-8-12-19;/h6-8,11-12,20-21H,1-5,9-10,13-18H2;1H
InChIKeyRULFBRJDTXQFOJ-UHFFFAOYSA-N
MW335.96 g/mol
LogP6.18
Rot. Bonds2

About 1-cyclodecyl-4-phenylpiperidine;hydrochloride

1-cyclodecyl-4-phenylpiperidine;hydrochloride (PubChem CID 70215634) has the molecular formula C21H34ClN and a molecular weight of 335.96 g/mol. Its IUPAC name is 1-cyclodecyl-4-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-cyclodecyl-4-phenylpiperidine;hydrochloride
PubChem CID70215634
Molecular FormulaC21H34ClN
Molecular Weight335.96 g/mol
Exact Mass335.24
IUPAC Name1-cyclodecyl-4-phenylpiperidine;hydrochloride
SMILESCl.c1ccc(C2CCN(C3CCCCCCCCC3)CC2)cc1
InChIInChI=1S/C21H33N.ClH/c1-2-4-9-13-21(14-10-5-3-1)22-17-15-20(16-18-22)19-11-7-6-8-12-19;/h6-8,11-12,20-21H,1-5,9-10,13-18H2;1H
InChIKeyRULFBRJDTXQFOJ-UHFFFAOYSA-N
XLogP6.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.96
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclodecyl-4-phenylpiperidine;hydrochloride?
The IUPAC name of 1-cyclodecyl-4-phenylpiperidine;hydrochloride (CID 70215634) is 1-cyclodecyl-4-phenylpiperidine;hydrochloride.
What is the SMILES notation for 1-cyclodecyl-4-phenylpiperidine;hydrochloride?
The canonical SMILES for 1-cyclodecyl-4-phenylpiperidine;hydrochloride is Cl.c1ccc(C2CCN(C3CCCCCCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclodecyl-4-phenylpiperidine;hydrochloride?
The InChIKey is RULFBRJDTXQFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N.ClH/c1-2-4-9-13-21(14-10-5-3-1)22-17-15-20(16-18-22)19-11-7-6-8-12-19;/h6-8,11-12,20-21H,1-5,9-10,13-18H2;1H.
What are the key properties of 1-cyclodecyl-4-phenylpiperidine;hydrochloride?
1-cyclodecyl-4-phenylpiperidine;hydrochloride has a molecular weight of 335.96 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclodecyl-4-phenylpiperidine;hydrochloride is sourced from PubChem (CID 70215634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).