4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine

C18H27ClN2O — CID 69260286

IUPAC4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine
SMILESCc1cc(OC2CCN(CC3CCNCC3)CC2)ccc1Cl
InChIInChI=1S/C18H27ClN2O/c1-14-12-17(2-3-18(14)19)22-16-6-10-21(11-7-16)13-15-4-8-20-9-5-15/h2-3,12,15-16,20H,4-11,13H2,1H3
InChIKeyWIFIIXHKGDUFBY-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.49
Rot. Bonds4

About 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine

4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine (PubChem CID 69260286) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine
PubChem CID69260286
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine
SMILESCc1cc(OC2CCN(CC3CCNCC3)CC2)ccc1Cl
InChIInChI=1S/C18H27ClN2O/c1-14-12-17(2-3-18(14)19)22-16-6-10-21(11-7-16)13-15-4-8-20-9-5-15/h2-3,12,15-16,20H,4-11,13H2,1H3
InChIKeyWIFIIXHKGDUFBY-UHFFFAOYSA-N
XLogP3.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613
4-(2,5-dimethylphenoxy)-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119930875
benzenesulfonic acid;4-(3,4-dichloro-2-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine
CID 86622716
2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]acetic acid
CID 69347571
2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 69260714
4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
CID 56830986
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759
4-methyl-2-[3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxycyclobutyl]oxypyridine
CID 156719597
methyl (2S)-3-cyclopentyl-2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]propanoate
CID 11992184
4-(3,4-dimethylphenoxy)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine;hydrochloride
CID 120899372
methyl 2-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)-2-methylpropanoate
CID 66615722
(2S,3R)-3-[4-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]piperidin-1-yl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 11995869

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine (CID 69260286) is 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine is Cc1cc(OC2CCN(CC3CCNCC3)CC2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine?
The InChIKey is WIFIIXHKGDUFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-14-12-17(2-3-18(14)19)22-16-6-10-21(11-7-16)13-15-4-8-20-9-5-15/h2-3,12,15-16,20H,4-11,13H2,1H3.
What are the key properties of 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine?
4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine has a molecular weight of 322.88 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-1-(piperidin-4-ylmethyl)piperidine is sourced from PubChem (CID 69260286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).