4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride

C22H23Cl2N3O — CID 154894486

IUPAC4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride
SMILESCl.Clc1ccccc1C1(c2ccnc(COc3ccccc3)n2)CCNCC1
InChIInChI=1S/C22H22ClN3O.ClH/c23-19-9-5-4-8-18(19)22(11-14-24-15-12-22)20-10-13-25-21(26-20)16-27-17-6-2-1-3-7-17;/h1-10,13,24H,11-12,14-16H2;1H
InChIKeyRHOPWKHREUQUOH-UHFFFAOYSA-N
MW416.35 g/mol
LogP4.80
Rot. Bonds5

About 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride

4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride (PubChem CID 154894486) has the molecular formula C22H23Cl2N3O and a molecular weight of 416.35 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride
PubChem CID154894486
Molecular FormulaC22H23Cl2N3O
Molecular Weight416.35 g/mol
Exact Mass415.12
IUPAC Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride
SMILESCl.Clc1ccccc1C1(c2ccnc(COc3ccccc3)n2)CCNCC1
InChIInChI=1S/C22H22ClN3O.ClH/c23-19-9-5-4-8-18(19)22(11-14-24-15-12-22)20-10-13-25-21(26-20)16-27-17-6-2-1-3-7-17;/h1-10,13,24H,11-12,14-16H2;1H
InChIKeyRHOPWKHREUQUOH-UHFFFAOYSA-N
XLogP4.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride
CID 154894507
N-benzyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-amine;dihydrochloride
CID 154894565
4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine;hydrochloride
CID 154894101
N-[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 154894578
4-[4-(2-chlorophenyl)piperidin-4-yl]-N-piperidin-4-ylpyrimidin-2-amine
CID 70775017
4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine
CID 70785441
(1S,4S)-2-[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 70734450
(3S)-1-[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]piperidin-3-ol
CID 95862936
4-(chloromethyl)-2-(phenoxymethyl)pyrimidine
CID 62746871
2-(phenoxymethyl)pyrimidine-4-carbaldehyde
CID 62747722
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62716190

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride?
The IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride (CID 154894486) is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride is Cl.Clc1ccccc1C1(c2ccnc(COc3ccccc3)n2)CCNCC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride?
The InChIKey is RHOPWKHREUQUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O.ClH/c23-19-9-5-4-8-18(19)22(11-14-24-15-12-22)20-10-13-25-21(26-20)16-27-17-6-2-1-3-7-17;/h1-10,13,24H,11-12,14-16H2;1H.
What are the key properties of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride?
4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride has a molecular weight of 416.35 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 154894486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).