hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride

C18H28ClNO2 — CID 644984

IUPAChydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride
SMILESCC(C)COc1ccc(C(=O)CCN2CCCCC2)cc1.[Cl-].[H+]
InChIInChI=1S/C18H27NO2.ClH/c1-15(2)14-21-17-8-6-16(7-9-17)18(20)10-13-19-11-4-3-5-12-19;/h6-9,15H,3-5,10-14H2,1-2H3;1H
InChIKeyVMAUDRNSDVRVPM-UHFFFAOYSA-N
MW325.88 g/mol
LogP0.90
Rot. Bonds7

About hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride

hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride (PubChem CID 644984) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride.

Molecular Properties

Compound Namehydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride
PubChem CID644984
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Namehydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride
SMILESCC(C)COc1ccc(C(=O)CCN2CCCCC2)cc1.[Cl-].[H+]
InChIInChI=1S/C18H27NO2.ClH/c1-15(2)14-21-17-8-6-16(7-9-17)18(20)10-13-19-11-4-3-5-12-19;/h6-9,15H,3-5,10-14H2,1-2H3;1H
InChIKeyVMAUDRNSDVRVPM-UHFFFAOYSA-N
XLogP0.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-ylethyl 4-(2-methylpropoxy)benzoate
CID 3518904
3-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050418
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
ethane;4-(2-piperidin-1-ylethoxy)benzoic acid
CID 142014809
1-[4-[3-(azepan-1-yl)-2-methylpropoxy]phenyl]ethanone
CID 82037445
1,3-bis[4-(3-piperidin-1-ylpropoxy)phenyl]propan-1-one
CID 73346061
3-piperidin-1-yl-1-(4-propylphenyl)propan-1-one
CID 94273024
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
4-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-one
CID 70436740

Frequently Asked Questions

What is the IUPAC name of hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride?
The IUPAC name of hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride (CID 644984) is hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride.
What is the SMILES notation for hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride?
The canonical SMILES for hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride is CC(C)COc1ccc(C(=O)CCN2CCCCC2)cc1.[Cl-].[H+].
What is the InChIKey of hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride?
The InChIKey is VMAUDRNSDVRVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.ClH/c1-15(2)14-21-17-8-6-16(7-9-17)18(20)10-13-19-11-4-3-5-12-19;/h6-9,15H,3-5,10-14H2,1-2H3;1H.
What are the key properties of hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride?
hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride has a molecular weight of 325.88 g/mol, XLogP of 0.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-[4-(2-methylpropoxy)phenyl]-3-piperidin-1-ylpropan-1-one;chloride is sourced from PubChem (CID 644984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).