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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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).