N-(4-propoxyphenyl)piperidin-4-amine

C14H22N2O — CID 62327639

IUPACN-(4-propoxyphenyl)piperidin-4-amine
SMILESCCCOc1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C14H22N2O/c1-2-11-17-14-5-3-12(4-6-14)16-13-7-9-15-10-8-13/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyLIMGUTOBFYEMQE-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.64
Rot. Bonds5

About N-(4-propoxyphenyl)piperidin-4-amine

N-(4-propoxyphenyl)piperidin-4-amine (PubChem CID 62327639) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-(4-propoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-propoxyphenyl)piperidin-4-amine
PubChem CID62327639
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-(4-propoxyphenyl)piperidin-4-amine
SMILESCCCOc1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C14H22N2O/c1-2-11-17-14-5-3-12(4-6-14)16-13-7-9-15-10-8-13/h3-6,13,15-16H,2,7-11H2,1H3
InChIKeyLIMGUTOBFYEMQE-UHFFFAOYSA-N
XLogP2.64
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
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

4-(4-propoxyanilino)cyclohexan-1-ol
CID 106594574
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
N-(3,4-dimethylcyclohexyl)-4-propoxyaniline
CID 64745627
propyl 4-(piperidin-4-ylamino)benzoate
CID 54902867
2-piperidin-4-yloxy-N-(4-propoxyphenyl)acetamide
CID 63876932
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
4-(4-propoxyphenoxy)azepane
CID 63904480
N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride
CID 141036211
4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine
CID 71251070
1,5-dimethyl-N-(4-propoxyphenyl)pyrrolidin-3-amine
CID 81466938
4-N-(4-ethoxyphenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027472
4-(4-octoxyphenyl)piperidine
CID 90176821

Frequently Asked Questions

What is the IUPAC name of N-(4-propoxyphenyl)piperidin-4-amine?
The IUPAC name of N-(4-propoxyphenyl)piperidin-4-amine (CID 62327639) is N-(4-propoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N-(4-propoxyphenyl)piperidin-4-amine?
The canonical SMILES for N-(4-propoxyphenyl)piperidin-4-amine is CCCOc1ccc(NC2CCNCC2)cc1.
What is the InChIKey of N-(4-propoxyphenyl)piperidin-4-amine?
The InChIKey is LIMGUTOBFYEMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-11-17-14-5-3-12(4-6-14)16-13-7-9-15-10-8-13/h3-6,13,15-16H,2,7-11H2,1H3.
What are the key properties of N-(4-propoxyphenyl)piperidin-4-amine?
N-(4-propoxyphenyl)piperidin-4-amine has a molecular weight of 234.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 62327639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).