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

C18H23Cl2N3O — CID 154894507

IUPAC4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride
SMILESCCOCc1nccc(C2(c3ccccc3Cl)CCNCC2)n1.Cl
InChIInChI=1S/C18H22ClN3O.ClH/c1-2-23-13-17-21-10-7-16(22-17)18(8-11-20-12-9-18)14-5-3-4-6-15(14)19;/h3-7,10,20H,2,8-9,11-13H2,1H3;1H
InChIKeyPGMPIHDCPWFONV-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.76
Rot. Bonds5

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

4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride (PubChem CID 154894507) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride
PubChem CID154894507
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride
SMILESCCOCc1nccc(C2(c3ccccc3Cl)CCNCC2)n1.Cl
InChIInChI=1S/C18H22ClN3O.ClH/c1-2-23-13-17-21-10-7-16(22-17)18(8-11-20-12-9-18)14-5-3-4-6-15(14)19;/h3-7,10,20H,2,8-9,11-13H2,1H3;1H
InChIKeyPGMPIHDCPWFONV-UHFFFAOYSA-N
XLogP3.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(phenoxymethyl)pyrimidine;hydrochloride
CID 154894486
4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine;hydrochloride
CID 154894101
N-benzyl-4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-amine;dihydrochloride
CID 154894565
4-[4-(2-chlorophenyl)piperidin-4-yl]-N-pentylpyrimidin-2-amine
CID 70785441
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-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol
CID 70779708
(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
1,2-dichlorobenzene;ethoxyethane
CID 68845412
4-(2-chlorophenyl)-4-propan-2-ylpiperidine
CID 83897892
3-(2-chlorophenyl)-3-(3-ethoxypropyl)azetidine
CID 79459718

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride?
The IUPAC name of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride (CID 154894507) is 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride is CCOCc1nccc(C2(c3ccccc3Cl)CCNCC2)n1.Cl.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride?
The InChIKey is PGMPIHDCPWFONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O.ClH/c1-2-23-13-17-21-10-7-16(22-17)18(8-11-20-12-9-18)14-5-3-4-6-15(14)19;/h3-7,10,20H,2,8-9,11-13H2,1H3;1H.
What are the key properties of 4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride?
4-[4-(2-chlorophenyl)piperidin-4-yl]-2-(ethoxymethyl)pyrimidine;hydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.76, 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-(ethoxymethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 154894507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).