N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine

C16H26N2O — CID 43315540

IUPACN-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine
SMILESCCNC1CCN(c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-4-17-14-9-11-18(12-10-14)15-5-7-16(8-6-15)19-13(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyURKFLSCNFXKSSF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.05
Rot. Bonds5

About N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine

N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine (PubChem CID 43315540) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine
PubChem CID43315540
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine
SMILESCCNC1CCN(c2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C16H26N2O/c1-4-17-14-9-11-18(12-10-14)15-5-7-16(8-6-15)19-13(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyURKFLSCNFXKSSF-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-[4-(methoxymethyl)phenyl]piperidin-4-amine
CID 114253160
4-tert-butyl-1-(4-propan-2-yloxyphenyl)piperidine
CID 118634170
1-[4-(dimethylamino)phenyl]-N-ethylpiperidin-4-amine
CID 43617126
N-methyl-2-[1-(4-propan-2-yloxyphenyl)pyrrolidin-3-yl]ethanamine
CID 112514852
1-[4-(1-cyclohexylethoxy)phenyl]piperidine
CID 154185560
[4-(ethylamino)piperidin-1-yl]-(3-propan-2-yloxyphenyl)methanone
CID 62919962
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
N-butan-2-yl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113104357
4-(4-propan-2-yloxyphenyl)-N-propylpiperazine-1-carboxamide
CID 113103271
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine?
The IUPAC name of N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine (CID 43315540) is N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine?
The canonical SMILES for N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine is CCNC1CCN(c2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine?
The InChIKey is URKFLSCNFXKSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-17-14-9-11-18(12-10-14)15-5-7-16(8-6-15)19-13(2)3/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine?
N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propan-2-yloxyphenyl)piperidin-4-amine is sourced from PubChem (CID 43315540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).