ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine

C26H38N2O2 — CID 177313994

IUPACethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine
SMILESCC.[H]/N=C(\c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCC(OC)CC2)C1
InChIInChI=1S/C24H32N2O2.C2H6/c1-27-22-11-8-21(9-12-22)26-13-3-4-20(16-26)24(25)19-6-5-18-15-23(28-2)10-7-17(18)14-19;1-2/h5-7,10,14-15,20-22,25H,3-4,8-9,11-13,16H2,1-2H3;1-2H3/b25-24+;
InChIKeyPSMOSGMJNCVDPR-QREUMGABSA-N
MW410.60 g/mol
LogP5.91
Rot. Bonds5

About ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine

ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine (PubChem CID 177313994) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine.

Molecular Properties

Compound Nameethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine
PubChem CID177313994
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Nameethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine
SMILESCC.[H]/N=C(\c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCC(OC)CC2)C1
InChIInChI=1S/C24H32N2O2.C2H6/c1-27-22-11-8-21(9-12-22)26-13-3-4-20(16-26)24(25)19-6-5-18-15-23(28-2)10-7-17(18)14-19;1-2/h5-7,10,14-15,20-22,25H,3-4,8-9,11-13,16H2,1-2H3;1-2H3/b25-24+;
InChIKeyPSMOSGMJNCVDPR-QREUMGABSA-N
XLogP5.91
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine
CID 177313888
ethane;4-[3-[6-(trifluoromethoxy)naphthalene-2-carboximidoyl]piperidin-1-yl]cyclohexan-1-ol
CID 177313998
(6-methoxynaphthalen-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanimine
CID 177314114
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
(E)-1-[1-(4-ethoxycyclohexyl)piperidin-3-yl]-N-(methoxymethyl)-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177314104
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
ethane;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314116
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
(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-4-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314128
6-methoxynaphthalene-2-carboximidamide
CID 3274917
[(3R,4R)-1-cyclopropyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479208
[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 145118733

Frequently Asked Questions

What is the IUPAC name of ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine?
The IUPAC name of ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine (CID 177313994) is ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine.
What is the SMILES notation for ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine?
The canonical SMILES for ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine is CC.[H]/N=C(\c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCC(OC)CC2)C1.
What is the InChIKey of ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine?
The InChIKey is PSMOSGMJNCVDPR-QREUMGABSA-N. The full InChI is InChI=1S/C24H32N2O2.C2H6/c1-27-22-11-8-21(9-12-22)26-13-3-4-20(16-26)24(25)19-6-5-18-15-23(28-2)10-7-17(18)14-19;1-2/h5-7,10,14-15,20-22,25H,3-4,8-9,11-13,16H2,1-2H3;1-2H3/b25-24+;.
What are the key properties of ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine?
ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine has a molecular weight of 410.60 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine is sourced from PubChem (CID 177313994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).