(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride

C17H26Cl2N2O2 — CID 120814221

IUPAC(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-11(2)22-14-6-5-12(18)9-13(14)16(21)20-8-7-15(19)17(3,4)10-20;/h5-6,9,11,15H,7-8,10,19H2,1-4H3;1H
InChIKeyFQJVMKKHGRUCBT-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.75
Rot. Bonds3

About (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride

(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride (PubChem CID 120814221) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
PubChem CID120814221
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Name(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
SMILESCC(C)Oc1ccc(Cl)cc1C(=O)N1CCC(N)C(C)(C)C1.Cl
InChIInChI=1S/C17H25ClN2O2.ClH/c1-11(2)22-14-6-5-12(18)9-13(14)16(21)20-8-7-15(19)17(3,4)10-20;/h5-6,9,11,15H,7-8,10,19H2,1-4H3;1H
InChIKeyFQJVMKKHGRUCBT-UHFFFAOYSA-N
XLogP3.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 119482552
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-cyclopentyloxyphenyl)methanone;hydrochloride
CID 120814057
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-chloro-2-(4-fluorophenoxy)phenyl]methanone;hydrochloride
CID 120815805
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 120803960
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-dichlorophenyl)methanone
CID 120817946
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(5-chloro-2-propan-2-yloxyphenyl)methanone
CID 124611154
(5-chloro-2-propan-2-yloxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644440
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone;dihydrochloride
CID 120818027
(5-chloro-2-propan-2-yloxyphenyl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119576533
(5-chloro-2-propan-2-yloxyphenyl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612547
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dichlorophenyl)methanone;hydrochloride
CID 120816240
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-difluorophenyl)methanone
CID 115276648

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride?
The IUPAC name of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride (CID 120814221) is (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride.
What is the SMILES notation for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride?
The canonical SMILES for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride is CC(C)Oc1ccc(Cl)cc1C(=O)N1CCC(N)C(C)(C)C1.Cl.
What is the InChIKey of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride?
The InChIKey is FQJVMKKHGRUCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2.ClH/c1-11(2)22-14-6-5-12(18)9-13(14)16(21)20-8-7-15(19)17(3,4)10-20;/h5-6,9,11,15H,7-8,10,19H2,1-4H3;1H.
What are the key properties of (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride?
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride has a molecular weight of 361.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride is sourced from PubChem (CID 120814221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).