N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine

C18H30N2O — CID 60806318

IUPACN-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
SMILESCCCN(CCCOc1cccc(C)c1)C1CCNCC1
InChIInChI=1S/C18H30N2O/c1-3-12-20(17-8-10-19-11-9-17)13-5-14-21-18-7-4-6-16(2)15-18/h4,6-7,15,17,19H,3,5,8-14H2,1-2H3
InChIKeyLZIMFTCWIGNGOD-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds8

About N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine

N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine (PubChem CID 60806318) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
PubChem CID60806318
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
SMILESCCCN(CCCOc1cccc(C)c1)C1CCNCC1
InChIInChI=1S/C18H30N2O/c1-3-12-20(17-8-10-19-11-9-17)13-5-14-21-18-7-4-6-16(2)15-18/h4,6-7,15,17,19H,3,5,8-14H2,1-2H3
InChIKeyLZIMFTCWIGNGOD-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-methylphenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214496
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
N-(2-phenoxyethyl)-N-propylpiperidin-4-amine
CID 60807688
2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide
CID 60802291
2-[cyclohexyl-[3-(3-methylphenoxy)propyl]amino]ethanol
CID 60696695
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
N-[2-(2,5-dimethylphenoxy)ethyl]-N-propylpiperidin-4-amine
CID 60807508
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
N-[(3-propoxyphenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300619
N-[2-(4-fluorophenoxy)ethyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932771
N-[2-[3-(aminomethyl)phenoxy]ethyl]-N-propylcyclopropanamine
CID 43270084

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine (CID 60806318) is N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine is CCCN(CCCOc1cccc(C)c1)C1CCNCC1.
What is the InChIKey of N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine?
The InChIKey is LZIMFTCWIGNGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-12-20(17-8-10-19-11-9-17)13-5-14-21-18-7-4-6-16(2)15-18/h4,6-7,15,17,19H,3,5,8-14H2,1-2H3.
What are the key properties of N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine?
N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine has a molecular weight of 290.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 60806318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).