tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane

C34H52N2OSn — CID 71515315

IUPACtributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc2c1nc(OCC1CCN(CCC)CC1)c1ccccc12
InChIInChI=1S/C22H25N2O.3C4H9.Sn/c1-2-13-24-14-11-17(12-15-24)16-25-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)23-22;3*1-3-4-2;/h3-9,17H,2,11-16H2,1H3;3*1,3-4H2,2H3;
InChIKeySQOSHLJUWNQMQY-UHFFFAOYSA-N
MW623.51 g/mol
LogP8.94
Rot. Bonds15

About tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane

tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane (PubChem CID 71515315) has the molecular formula C34H52N2OSn and a molecular weight of 623.51 g/mol. Its IUPAC name is tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane.

Molecular Properties

Compound Nametributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane
PubChem CID71515315
Molecular FormulaC34H52N2OSn
Molecular Weight623.51 g/mol
Exact Mass624.31
IUPAC Nametributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc2c1nc(OCC1CCN(CCC)CC1)c1ccccc12
InChIInChI=1S/C22H25N2O.3C4H9.Sn/c1-2-13-24-14-11-17(12-15-24)16-25-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)23-22;3*1-3-4-2;/h3-9,17H,2,11-16H2,1H3;3*1,3-4H2,2H3;
InChIKeySQOSHLJUWNQMQY-UHFFFAOYSA-N
XLogP8.94
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.51
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[(1-propylpiperidin-4-yl)methoxy]benzo[c][2,6]naphthyridine
CID 71452073
3-methoxy-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine
CID 71461047
4-[2-[4-[(2-methylpyrrolo[3,4-c]quinolin-4-yl)oxymethyl]piperidin-1-yl]ethyl]morpholine;hydrochloride
CID 67211641
(1-butylpiperidin-4-yl)methyl 2-chloro-1-methylindole-3-carboxylate
CID 54331187
(1-butylpiperidin-4-yl)methyl 6-amino-5-chloro-2-propoxypyridine-3-carboxylate
CID 21467241
3-[(1-butylpiperidin-4-yl)methoxy]-4-(2,2-dimethylpropoxy)-1,2-benzoxazole
CID 71460941
8-[(1-butylpiperidin-4-yl)methoxy]-3-methyl-5-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 44592233
6-[(1-butylpiperidin-4-yl)methoxy]-10-chloro-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
CID 10157917
4-(phenoxymethyl)-1-[(1-propyltetrazol-5-yl)methyl]piperidine
CID 86831886
1-ethyl-4-(phenoxymethyl)piperidine
CID 91434819
(1-butylpiperidin-4-yl)methyl 2-(4-chlorobutoxy)-1H-indole-3-carboxylate
CID 10835943
2-[2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]pyridine
CID 146123829

Frequently Asked Questions

What is the IUPAC name of tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane?
The IUPAC name of tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane (CID 71515315) is tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane.
What is the SMILES notation for tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane?
The canonical SMILES for tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane is CCCC[Sn](CCCC)(CCCC)c1cccc2c1nc(OCC1CCN(CCC)CC1)c1ccccc12.
What is the InChIKey of tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane?
The InChIKey is SQOSHLJUWNQMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N2O.3C4H9.Sn/c1-2-13-24-14-11-17(12-15-24)16-25-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)23-22;3*1-3-4-2;/h3-9,17H,2,11-16H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane?
tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane has a molecular weight of 623.51 g/mol, XLogP of 8.94, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[6-[(1-propylpiperidin-4-yl)methoxy]phenanthridin-4-yl]stannane is sourced from PubChem (CID 71515315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).