(3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine

C19H33N3O — CID 164637295

IUPAC(3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine
SMILESCOCc1ncc(C)n1C[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C19H33N3O/c1-16-12-20-19(15-23-2)22(16)14-17-8-7-11-21(13-17)18-9-5-3-4-6-10-18/h12,17-18H,3-11,13-15H2,1-2H3/t17-/m0/s1
InChIKeyIXNHKNQQQQGJJH-KRWDZBQOSA-N
MW319.49 g/mol
LogP3.77
Rot. Bonds5

About (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine

(3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine (PubChem CID 164637295) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine
PubChem CID164637295
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name(3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine
SMILESCOCc1ncc(C)n1C[C@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C19H33N3O/c1-16-12-20-19(15-23-2)22(16)14-17-8-7-11-21(13-17)18-9-5-3-4-6-10-18/h12,17-18H,3-11,13-15H2,1-2H3/t17-/m0/s1
InChIKeyIXNHKNQQQQGJJH-KRWDZBQOSA-N
XLogP3.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine?
The IUPAC name of (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine (CID 164637295) is (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine.
What is the SMILES notation for (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine?
The canonical SMILES for (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine is COCc1ncc(C)n1C[C@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine?
The InChIKey is IXNHKNQQQQGJJH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N3O/c1-16-12-20-19(15-23-2)22(16)14-17-8-7-11-21(13-17)18-9-5-3-4-6-10-18/h12,17-18H,3-11,13-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine?
(3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine has a molecular weight of 319.49 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-3-[[2-(methoxymethyl)-5-methylimidazol-1-yl]methyl]piperidine is sourced from PubChem (CID 164637295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).