1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one

C19H29ClN2O2 — CID 19081864

IUPAC1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one
SMILESCCCOc1cc(N)c(Cl)cc1C(=O)CCCCN1CCCCC1
InChIInChI=1S/C19H29ClN2O2/c1-2-12-24-19-14-17(21)16(20)13-15(19)18(23)8-4-7-11-22-9-5-3-6-10-22/h13-14H,2-12,21H2,1H3
InChIKeyPCNPLBNJGWTEHA-UHFFFAOYSA-N
MW352.91 g/mol
LogP4.55
Rot. Bonds9

About 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one

1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one (PubChem CID 19081864) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one.

Molecular Properties

Compound Name1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one
PubChem CID19081864
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one
SMILESCCCOc1cc(N)c(Cl)cc1C(=O)CCCCN1CCCCC1
InChIInChI=1S/C19H29ClN2O2/c1-2-12-24-19-14-17(21)16(20)13-15(19)18(23)8-4-7-11-22-9-5-3-6-10-22/h13-14H,2-12,21H2,1H3
InChIKeyPCNPLBNJGWTEHA-UHFFFAOYSA-N
XLogP4.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-amino-5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]-5-piperidin-1-ylpentan-1-one
CID 19081989
1-[5-(4-amino-5-chloro-2-methoxyphenyl)-5-oxopentyl]piperidine-4-carboxamide
CID 19081936
1-(4-amino-5-chloro-2-ethoxyphenyl)-5-piperidin-1-ylpentan-2-one
CID 67740745
1-[5-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-5-oxopentyl]piperidine-4-carboxamide;hydrochloride
CID 19081946
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-hexylpiperidin-4-yl)propan-1-one
CID 19081962
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-pentylpiperidin-4-yl)propan-1-one;hydrochloride
CID 19081841
4-amino-5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-propoxybenzamide
CID 10405900
1-(2-aminophenyl)-6-piperidin-1-ylhexan-1-one
CID 54276686
2-amino-5-methoxy-4-(3-pyrrolidin-1-ylpropoxy)benzoic acid
CID 130345860
1-(2-chloro-4-methylphenyl)-6-piperidin-1-ylhexan-1-one
CID 54134495
1-(2-methyl-4-propoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 566846
5-amino-1-(4-amino-5-chloro-2-methoxyphenyl)-5-propyloctan-1-one;hydrochloride
CID 70063453

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one?
The IUPAC name of 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one (CID 19081864) is 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one.
What is the SMILES notation for 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one?
The canonical SMILES for 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one is CCCOc1cc(N)c(Cl)cc1C(=O)CCCCN1CCCCC1.
What is the InChIKey of 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one?
The InChIKey is PCNPLBNJGWTEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-2-12-24-19-14-17(21)16(20)13-15(19)18(23)8-4-7-11-22-9-5-3-6-10-22/h13-14H,2-12,21H2,1H3.
What are the key properties of 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one?
1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one has a molecular weight of 352.91 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-chloro-2-propoxyphenyl)-5-piperidin-1-ylpentan-1-one is sourced from PubChem (CID 19081864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).