4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride

C19H31ClN2O — CID 119930875

IUPAC4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
SMILESCc1ccc(C)c(OC2CCN(CC3CCNCC3)CC2)c1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-15-3-4-16(2)19(13-15)22-18-7-11-21(12-8-18)14-17-5-9-20-10-6-17;/h3-4,13,17-18,20H,5-12,14H2,1-2H3;1H
InChIKeyLASHFGCBJMCRFO-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.57
Rot. Bonds4

About 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride

4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride (PubChem CID 119930875) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
PubChem CID119930875
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC Name4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
SMILESCc1ccc(C)c(OC2CCN(CC3CCNCC3)CC2)c1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-15-3-4-16(2)19(13-15)22-18-7-11-21(12-8-18)14-17-5-9-20-10-6-17;/h3-4,13,17-18,20H,5-12,14H2,1-2H3;1H
InChIKeyLASHFGCBJMCRFO-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine
CID 69260286
4-methyl-2-[3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxycyclobutyl]oxypyridine
CID 156719597
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
CID 118993415
benzenesulfonic acid;4-(3,4-dichloro-2-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine
CID 86622716
4-(5-methyl-2-propan-2-ylphenoxy)piperidine
CID 24708982
cis-(1R,2S)-2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]cyclohexan-1-ol
CID 97327792
(4-methylphenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 119930769
4-(2-tert-butyl-4-methylphenoxy)piperidine;hydrochloride
CID 56830922
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120927660
[4-(2,5-dimethylphenoxy)piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 124695881
4-(2-tert-butyl-5-methylphenoxy)piperidine
CID 43131499

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride (CID 119930875) is 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride is Cc1ccc(C)c(OC2CCN(CC3CCNCC3)CC2)c1.Cl.
What is the InChIKey of 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The InChIKey is LASHFGCBJMCRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-15-3-4-16(2)19(13-15)22-18-7-11-21(12-8-18)14-17-5-9-20-10-6-17;/h3-4,13,17-18,20H,5-12,14H2,1-2H3;1H.
What are the key properties of 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 119930875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).