(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol

C14H18ClNO2 — CID 169138061

IUPAC(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESC[C@H]1C[C@@]2(CCN1)OCCc1cc(O)c(Cl)cc12
InChIInChI=1S/C14H18ClNO2/c1-9-8-14(3-4-16-9)11-7-12(15)13(17)6-10(11)2-5-18-14/h6-7,9,16-17H,2-5,8H2,1H3/t9-,14+/m0/s1
InChIKeyDERPAVIYSPDBEB-LKFCYVNXSA-N
MW267.76 g/mol
LogP2.59
Rot. Bonds

About (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol

(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (PubChem CID 169138061) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.

Molecular Properties

Compound Name(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
PubChem CID169138061
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol
SMILESC[C@H]1C[C@@]2(CCN1)OCCc1cc(O)c(Cl)cc12
InChIInChI=1S/C14H18ClNO2/c1-9-8-14(3-4-16-9)11-7-12(15)13(17)6-10(11)2-5-18-14/h6-7,9,16-17H,2-5,8H2,1H3/t9-,14+/m0/s1
InChIKeyDERPAVIYSPDBEB-LKFCYVNXSA-N
XLogP2.59
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The IUPAC name of (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol (CID 169138061) is (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol.
What is the SMILES notation for (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The canonical SMILES for (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is C[C@H]1C[C@@]2(CCN1)OCCc1cc(O)c(Cl)cc12.
What is the InChIKey of (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
The InChIKey is DERPAVIYSPDBEB-LKFCYVNXSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-9-8-14(3-4-16-9)11-7-12(15)13(17)6-10(11)2-5-18-14/h6-7,9,16-17H,2-5,8H2,1H3/t9-,14+/m0/s1.
What are the key properties of (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol?
(1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol has a molecular weight of 267.76 g/mol, XLogP of 2.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2'S)-7-chloro-2'-methylspiro[3,4-dihydroisochromene-1,4'-piperidine]-6-ol is sourced from PubChem (CID 169138061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).