1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride

C20H38ClNO — CID 3030460

IUPAC1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride
SMILESC1CCC(C2(OCCCN3CCCCC3)CCCCC2)CC1.Cl
InChIInChI=1S/C20H37NO.ClH/c1-4-11-19(12-5-1)20(13-6-2-7-14-20)22-18-10-17-21-15-8-3-9-16-21;/h19H,1-18H2;1H
InChIKeyFADMRWLRCSTALD-UHFFFAOYSA-N
MW343.98 g/mol
LogP5.58
Rot. Bonds6

About 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride

1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride (PubChem CID 3030460) has the molecular formula C20H38ClNO and a molecular weight of 343.98 g/mol. Its IUPAC name is 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride
PubChem CID3030460
Molecular FormulaC20H38ClNO
Molecular Weight343.98 g/mol
Exact Mass343.26
IUPAC Name1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride
SMILESC1CCC(C2(OCCCN3CCCCC3)CCCCC2)CC1.Cl
InChIInChI=1S/C20H37NO.ClH/c1-4-11-19(12-5-1)20(13-6-2-7-14-20)22-18-10-17-21-15-8-3-9-16-21;/h19H,1-18H2;1H
InChIKeyFADMRWLRCSTALD-UHFFFAOYSA-N
XLogP5.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.98
LogP ≤ 55.58
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

Piperidine, 1-(2-((1-cyclohexylcyclohexyl)oxy)ethyl)-, hydrochloride
CID 3025098
Piperidine, 1-(2-(dicyclohexylmethoxy)ethyl)-, hydrochloride
CID 3025269
1,1-Dicyclohexyl-3-piperidin-1-ylpropan-1-ol
CID 10267232
1-[2-(1-Cyclohexylcyclohexyl)oxyethyl]piperidine
CID 3025099
1-[2-(Dicyclohexylmethoxy)ethyl]piperidine
CID 3025270
1-Butyl-4-cyclohexyl-4-propoxypiperidine
CID 3030417
4-(Dicyclohexylmethoxy)-1-methylpiperidine
CID 89666012
1-methyl-4-[4-[(5R)-5-methyloxan-2-yl]cyclohexyl]piperidine
CID 129159960
4,9-Dimethyl-3-propyl-1-oxa-9-azaspiro[5.5]undecane
CID 134242705
1,2-Dicyclohexyl-4-methoxypiperidine
CID 139860256
1-[2-[4-(Cyclohexylmethyl)cyclohexyl]oxyethyl]piperidine
CID 140449891
4-[4-(3-Methylbutyl)cyclohexyl]oxy-1-(2-methylpropyl)piperidine
CID 160745640

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride?
The IUPAC name of 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride (CID 3030460) is 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride is C1CCC(C2(OCCCN3CCCCC3)CCCCC2)CC1.Cl.
What is the InChIKey of 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride?
The InChIKey is FADMRWLRCSTALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO.ClH/c1-4-11-19(12-5-1)20(13-6-2-7-14-20)22-18-10-17-21-15-8-3-9-16-21;/h19H,1-18H2;1H.
What are the key properties of 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride?
1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride has a molecular weight of 343.98 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-cyclohexylcyclohexyl)oxypropyl]piperidine;hydrochloride is sourced from PubChem (CID 3030460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).