1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride

C20H25Cl2NO — CID 139776325

IUPAC1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
SMILESCl.Clc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24ClNO.ClH/c21-19-7-9-20(10-8-19)23-16-4-13-22-14-11-18(12-15-22)17-5-2-1-3-6-17;/h1-3,5-10,18H,4,11-16H2;1H
InChIKeyFFTQWNNGHVLAEN-UHFFFAOYSA-N
MW366.33 g/mol
LogP5.41
Rot. Bonds6

About 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride

1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride (PubChem CID 139776325) has the molecular formula C20H25Cl2NO and a molecular weight of 366.33 g/mol. Its IUPAC name is 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
PubChem CID139776325
Molecular FormulaC20H25Cl2NO
Molecular Weight366.33 g/mol
Exact Mass365.13
IUPAC Name1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride
SMILESCl.Clc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24ClNO.ClH/c21-19-7-9-20(10-8-19)23-16-4-13-22-14-11-18(12-15-22)17-5-2-1-3-6-17;/h1-3,5-10,18H,4,11-16H2;1H
InChIKeyFFTQWNNGHVLAEN-UHFFFAOYSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride
CID 44536677
[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol
CID 44907120
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
4-(4-butoxyphenyl)-1-propylpiperidine
CID 57387305
3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
1-[3-(4-chlorophenoxy)propyl]-3-methylpyrrolidine
CID 138636815
6-[3-[4-(4-chlorophenyl)piperidin-1-yl]propoxy]-4-methyl-1H-quinolin-2-one
CID 13064804
3-[3-(4-chlorophenoxy)propyl]-5-phenylimidazolidine-2,4-dione
CID 84571309
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
4-(2-chloroethoxy)-1-(3-phenoxypropyl)piperidine
CID 82701439
4-[3-[3-(3-chlorophenyl)pyrrolidin-1-yl]propoxy]-N-methylaniline;ethane
CID 164906429

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride?
The IUPAC name of 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride (CID 139776325) is 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride.
What is the SMILES notation for 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride?
The canonical SMILES for 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride is Cl.Clc1ccc(OCCCN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride?
The InChIKey is FFTQWNNGHVLAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO.ClH/c21-19-7-9-20(10-8-19)23-16-4-13-22-14-11-18(12-15-22)17-5-2-1-3-6-17;/h1-3,5-10,18H,4,11-16H2;1H.
What are the key properties of 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride?
1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride has a molecular weight of 366.33 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenoxy)propyl]-4-phenylpiperidine;hydrochloride is sourced from PubChem (CID 139776325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).