(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine

C25H28N2O — CID 177314114

IUPAC(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine
SMILES[H]/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C25H28N2O/c1-28-24-12-11-20-16-22(10-9-21(20)17-24)25(26)23-8-5-14-27(18-23)15-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,16-17,23,26H,5,8,13-15,18H2,1H3/b26-25-
InChIKeyUUTDGVCQNQUABB-QPLCGJKRSA-N
MW372.51 g/mol
LogP5.17
Rot. Bonds6

About (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine

(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine (PubChem CID 177314114) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine
PubChem CID177314114
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine
SMILES[H]/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C25H28N2O/c1-28-24-12-11-20-16-22(10-9-21(20)17-24)25(26)23-8-5-14-27(18-23)15-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,16-17,23,26H,5,8,13-15,18H2,1H3/b26-25-
InChIKeyUUTDGVCQNQUABB-QPLCGJKRSA-N
XLogP5.17
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[2-[3-[(E)-N-methoxy-C-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]ethyl]benzamide;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-(2-phenylethyl)piperidin-3-yl]methanimine;(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine
CID 177314113
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine
CID 177313888
ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine
CID 177313994
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 122134394
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine?
The IUPAC name of (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine (CID 177314114) is (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine is [H]/N=C(/c1ccc2cc(OC)ccc2c1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine?
The InChIKey is UUTDGVCQNQUABB-QPLCGJKRSA-N. The full InChI is InChI=1S/C25H28N2O/c1-28-24-12-11-20-16-22(10-9-21(20)17-24)25(26)23-8-5-14-27(18-23)15-13-19-6-3-2-4-7-19/h2-4,6-7,9-12,16-17,23,26H,5,8,13-15,18H2,1H3/b26-25-.
What are the key properties of (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine?
(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine has a molecular weight of 372.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine is sourced from PubChem (CID 177314114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).