(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine

C22H28N2OS — CID 177313888

IUPAC(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine
SMILES[H]/N=C(\c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCSCC2)C1
InChIInChI=1S/C22H28N2OS/c1-25-21-7-6-16-13-18(5-4-17(16)14-21)22(23)19-3-2-10-24(15-19)20-8-11-26-12-9-20/h4-7,13-14,19-20,23H,2-3,8-12,15H2,1H3/b23-22+
InChIKeyPJBHXJOPBLMWET-GHVJWSGMSA-N
MW368.55 g/mol
LogP4.82
Rot. Bonds4

About (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine

(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine (PubChem CID 177313888) has the molecular formula C22H28N2OS and a molecular weight of 368.55 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine
PubChem CID177313888
Molecular FormulaC22H28N2OS
Molecular Weight368.55 g/mol
Exact Mass368.19
IUPAC Name(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine
SMILES[H]/N=C(\c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCSCC2)C1
InChIInChI=1S/C22H28N2OS/c1-25-21-7-6-16-13-18(5-4-17(16)14-21)22(23)19-3-2-10-24(15-19)20-8-11-26-12-9-20/h4-7,13-14,19-20,23H,2-3,8-12,15H2,1H3/b23-22+
InChIKeyPJBHXJOPBLMWET-GHVJWSGMSA-N
XLogP4.82
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.82
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

ethane;[1-(4-methoxycyclohexyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanimine
CID 177313994
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
N-[2-(4-methoxyphenyl)phenyl]-1-(thian-4-yl)piperidine-3-carboxamide
CID 45228808
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
(E)-1-[1-(4-ethoxycyclohexyl)piperidin-3-yl]-N-(methoxymethyl)-1-(6-methoxynaphthalen-2-yl)methanimine
CID 177314104
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
ethane;(E)-N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[1-[4-(1H-pyrazol-5-yl)cyclohexyl]piperidin-3-yl]methanimine
CID 177314116
3,5-dimethoxy-N-[[1-(thian-4-yl)piperidin-3-yl]methyl]benzamide
CID 45252489
(3S,4S)-4-(3-methoxyphenyl)-1-(thian-4-yl)piperidin-3-ol
CID 50966979

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine?
The IUPAC name of (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine (CID 177313888) is (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine is [H]/N=C(\c1ccc2cc(OC)ccc2c1)C1CCCN(C2CCSCC2)C1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine?
The InChIKey is PJBHXJOPBLMWET-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H28N2OS/c1-25-21-7-6-16-13-18(5-4-17(16)14-21)22(23)19-3-2-10-24(15-19)20-8-11-26-12-9-20/h4-7,13-14,19-20,23H,2-3,8-12,15H2,1H3/b23-22+.
What are the key properties of (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine?
(6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine has a molecular weight of 368.55 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-[1-(thian-4-yl)piperidin-3-yl]methanimine is sourced from PubChem (CID 177313888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).