1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride

C22H33Cl2N3O — CID 68852175

IUPAC1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
SMILESCN1CCC(O)(C(CN2CCNCC2)c2ccc3ccccc3c2)CC1.Cl.Cl
InChIInChI=1S/C22H31N3O.2ClH/c1-24-12-8-22(26,9-13-24)21(17-25-14-10-23-11-15-25)20-7-6-18-4-2-3-5-19(18)16-20;;/h2-7,16,21,23,26H,8-15,17H2,1H3;2*1H
InChIKeyLRQDSBIJTKASMW-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.13
Rot. Bonds4

About 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride

1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride (PubChem CID 68852175) has the molecular formula C22H33Cl2N3O and a molecular weight of 426.43 g/mol. Its IUPAC name is 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
PubChem CID68852175
Molecular FormulaC22H33Cl2N3O
Molecular Weight426.43 g/mol
Exact Mass425.20
IUPAC Name1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride
SMILESCN1CCC(O)(C(CN2CCNCC2)c2ccc3ccccc3c2)CC1.Cl.Cl
InChIInChI=1S/C22H31N3O.2ClH/c1-24-12-8-22(26,9-13-24)21(17-25-14-10-23-11-15-25)20-7-6-18-4-2-3-5-19(18)16-20;;/h2-7,16,21,23,26H,8-15,17H2,1H3;2*1H
InChIKeyLRQDSBIJTKASMW-UHFFFAOYSA-N
XLogP3.13
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3,4-dichlorophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;trihydrochloride
CID 68855601
4-[1-(3-bromophenyl)-2-piperazin-1-ylethyl]-1-methylpiperidin-4-ol;dihydrochloride
CID 68855594
1-(2-morpholin-4-yl-1-naphthalen-2-ylethyl)cyclohexan-1-ol;hydrochloride
CID 68855549
1-(2-morpholin-4-yl-1-naphthalen-2-ylethyl)cyclobutan-1-ol
CID 59701242
1-[2-(4-methylpiperazin-1-yl)-1-naphthalen-1-ylethyl]cyclooctan-1-ol;1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cycloheptan-1-ol
CID 158483163
1-(2-piperazin-1-yl-1-quinolin-3-ylethyl)cyclohexan-1-ol
CID 11256286
1-[1-(3-chlorophenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 11383887
1-[1-[3-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]cyclohexan-1-ol;dihydrochloride
CID 68855415
1-(1-naphthalen-1-yl-2-piperazin-1-ylethyl)cyclobutan-1-ol;dihydrochloride
CID 68855773
1-[1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660021
1-[1-[3-(3,4-dichlorophenyl)phenyl]-2-piperazin-1-ylethyl]cyclohexan-1-ol;dihydrochloride
CID 16660339
ethane;1-[(1S)-2-piperazin-1-yl-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036937

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride?
The IUPAC name of 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride (CID 68852175) is 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride?
The canonical SMILES for 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride is CN1CCC(O)(C(CN2CCNCC2)c2ccc3ccccc3c2)CC1.Cl.Cl.
What is the InChIKey of 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride?
The InChIKey is LRQDSBIJTKASMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O.2ClH/c1-24-12-8-22(26,9-13-24)21(17-25-14-10-23-11-15-25)20-7-6-18-4-2-3-5-19(18)16-20;;/h2-7,16,21,23,26H,8-15,17H2,1H3;2*1H.
What are the key properties of 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride?
1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride has a molecular weight of 426.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-naphthalen-2-yl-2-piperazin-1-ylethyl)piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 68852175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).