phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate

C19H28N2O2 — CID 58136025

IUPACphenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate
SMILESCN1CCC(C2CCN(CC(=O)Oc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N2O2/c1-20-11-7-16(8-12-20)17-9-13-21(14-10-17)15-19(22)23-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3
InChIKeyNBZQQDHRBNWELN-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.65
Rot. Bonds4

About phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate

phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate (PubChem CID 58136025) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namephenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate
PubChem CID58136025
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namephenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate
SMILESCN1CCC(C2CCN(CC(=O)Oc3ccccc3)CC2)CC1
InChIInChI=1S/C19H28N2O2/c1-20-11-7-16(8-12-20)17-9-13-21(14-10-17)15-19(22)23-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3
InChIKeyNBZQQDHRBNWELN-UHFFFAOYSA-N
XLogP2.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,6-Di(propan-2-yl)phenyl (piperidin-1-yl)acetate--hydrogen chloride (1/1)
CID 120596
Phenyl 2-(2-methylpropyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3232807
1-Piperidineacetic acid, 2,6-diethylphenyl ester, hydrochloride
CID 120600
1-Piperidineacetic acid, 2,6-xylyl ester, hydrochloride
CID 121276
Phenyl 9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 3233826
Phenyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234990
Ethyl 2-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]acetate
CID 118738816
[2,6-Di(propan-2-yl)phenyl] 2-(3,5-dimethylpiperidin-1-yl)acetate;hydrochloride
CID 177647895
3-Methyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 2923366
4-[2-(3-Methylpiperidin-1-yl)ethoxy]chromen-2-one
CID 177638551
tert-butyl (3R)-3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 99788115
(4-Fluorophenyl) 2-piperidin-1-ylacetate
CID 141802031

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate?
The IUPAC name of phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate (CID 58136025) is phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate.
What is the SMILES notation for phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate?
The canonical SMILES for phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate is CN1CCC(C2CCN(CC(=O)Oc3ccccc3)CC2)CC1.
What is the InChIKey of phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate?
The InChIKey is NBZQQDHRBNWELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-20-11-7-16(8-12-20)17-9-13-21(14-10-17)15-19(22)23-18-5-3-2-4-6-18/h2-6,16-17H,7-15H2,1H3.
What are the key properties of phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate?
phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate has a molecular weight of 316.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 58136025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).