N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine

C17H26N2O — CID 83996571

IUPACN-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine
SMILESCCOc1ccc(N2CCCC(NCC3CC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-2-20-17-9-7-16(8-10-17)19-11-3-4-15(13-19)18-12-14-5-6-14/h7-10,14-15,18H,2-6,11-13H2,1H3
InChIKeyRNRHHHMRIQYDTA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.05
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine

N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine (PubChem CID 83996571) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine
PubChem CID83996571
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine
SMILESCCOc1ccc(N2CCCC(NCC3CC3)C2)cc1
InChIInChI=1S/C17H26N2O/c1-2-20-17-9-7-16(8-10-17)19-11-3-4-15(13-19)18-12-14-5-6-14/h7-10,14-15,18H,2-6,11-13H2,1H3
InChIKeyRNRHHHMRIQYDTA-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
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-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
CID 83998581
1-(4-ethoxyphenyl)pyrrolidin-3-amine
CID 43314939
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
1-(4-ethoxyphenyl)-3-methylpyrrolidine
CID 143805515
N-[[1-(4-ethoxyphenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62514030
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
3-cyclopropyl-1-(4-ethoxyphenyl)-1,4-diazepane
CID 64941701
1-(4-ethoxyphenyl)-4,6-dimethyl-1,4-diazepane
CID 138551851
4-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]butan-2-amine
CID 83982060
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine (CID 83996571) is N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine is CCOc1ccc(N2CCCC(NCC3CC3)C2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine?
The InChIKey is RNRHHHMRIQYDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-20-17-9-7-16(8-10-17)19-11-3-4-15(13-19)18-12-14-5-6-14/h7-10,14-15,18H,2-6,11-13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine?
N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine has a molecular weight of 274.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-ethoxyphenyl)piperidin-3-amine is sourced from PubChem (CID 83996571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).