1'-benzylspiro[chromene-2,4'-piperidine]

C20H21NO — CID 12887958

IUPAC1'-benzylspiro[chromene-2,4'-piperidine]
SMILESC1=CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C20H21NO/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-11H,12-16H2
InChIKeyYNMVLXLZUYHTJZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.13
Rot. Bonds2

About 1'-benzylspiro[chromene-2,4'-piperidine]

1'-benzylspiro[chromene-2,4'-piperidine] (PubChem CID 12887958) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1'-benzylspiro[chromene-2,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[chromene-2,4'-piperidine]
PubChem CID12887958
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1'-benzylspiro[chromene-2,4'-piperidine]
SMILESC1=CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21
InChIInChI=1S/C20H21NO/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-11H,12-16H2
InChIKeyYNMVLXLZUYHTJZ-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(spiro[azepane-4,2'-chromene]-1-ylmethyl)phenol
CID 50958228
2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
CID 68981311
2-spiro[chromene-2,4'-piperidine]-1'-ylethanamine
CID 82046760
3-[4-[[(4R)-spiro[azepane-4,2'-chromene]-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 95148314
1-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]spiro[azepane-4,2'-chromene]
CID 50952558
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]spiro[azepane-4,2'-chromene]
CID 50961489
3-[5-(spiro[azepane-4,2'-chromene]-1-ylmethyl)thiophen-3-yl]prop-2-yn-1-ol
CID 50962193
2-(3-oxo-3-spiro[chromene-2,4'-piperidine]-1'-ylpropyl)benzoic acid
CID 167949320
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-propan-2-yloxy-1-[(4R)-spiro[azepane-4,2'-chromene]-1-yl]ethanone
CID 95122993
(4S)-1-[6-(methoxymethyl)pyrimidin-4-yl]spiro[azepane-4,2'-chromene]
CID 97195341
2-(6-ethylspiro[chromene-2,4'-piperidine]-1'-yl)ethanamine
CID 82046764

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[chromene-2,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[chromene-2,4'-piperidine] (CID 12887958) is 1'-benzylspiro[chromene-2,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[chromene-2,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[chromene-2,4'-piperidine] is C1=CC2(CCN(Cc3ccccc3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-benzylspiro[chromene-2,4'-piperidine]?
The InChIKey is YNMVLXLZUYHTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-2-6-17(7-3-1)16-21-14-12-20(13-15-21)11-10-18-8-4-5-9-19(18)22-20/h1-11H,12-16H2.
What are the key properties of 1'-benzylspiro[chromene-2,4'-piperidine]?
1'-benzylspiro[chromene-2,4'-piperidine] has a molecular weight of 291.39 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[chromene-2,4'-piperidine] is sourced from PubChem (CID 12887958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).