4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide

C25H29N3O — CID 140992030

IUPAC4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2c(CC)cccc2OC2CCNCC2)c2ccccc12
InChIInChI=1S/C25H29N3O/c1-2-17-6-5-9-24(29-19-12-14-28-15-13-19)23(17)16-18-10-11-22(25(26)27)21-8-4-3-7-20(18)21/h3-11,19,28H,2,12-16H2,1H3,(H3,26,27)
InChIKeySOLZLBSCSHSMKX-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.41
Rot. Bonds6

About 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide

4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide (PubChem CID 140992030) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide.

Molecular Properties

Compound Name4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide
PubChem CID140992030
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Cc2c(CC)cccc2OC2CCNCC2)c2ccccc12
InChIInChI=1S/C25H29N3O/c1-2-17-6-5-9-24(29-19-12-14-28-15-13-19)23(17)16-18-10-11-22(25(26)27)21-8-4-3-7-20(18)21/h3-11,19,28H,2,12-16H2,1H3,(H3,26,27)
InChIKeySOLZLBSCSHSMKX-UHFFFAOYSA-N
XLogP4.41
TPSA71.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide?
The IUPAC name of 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide (CID 140992030) is 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide.
What is the SMILES notation for 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide?
The canonical SMILES for 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide is [H]/N=C(\N)c1ccc(Cc2c(CC)cccc2OC2CCNCC2)c2ccccc12.
What is the InChIKey of 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide?
The InChIKey is SOLZLBSCSHSMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-2-17-6-5-9-24(29-19-12-14-28-15-13-19)23(17)16-18-10-11-22(25(26)27)21-8-4-3-7-20(18)21/h3-11,19,28H,2,12-16H2,1H3,(H3,26,27).
What are the key properties of 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide?
4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide has a molecular weight of 387.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-6-piperidin-4-yloxyphenyl)methyl]naphthalene-1-carboximidamide is sourced from PubChem (CID 140992030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).