5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]

C17H23ClN2 — CID 121353699

IUPAC5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CC2(CCN(CC3CC3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C17H23ClN2/c1-19-12-17(15-10-14(18)4-5-16(15)19)6-8-20(9-7-17)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12H2,1H3
InChIKeyFXFJEQAQJRJEQH-UHFFFAOYSA-N
MW290.84 g/mol
LogP3.53
Rot. Bonds2

About 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]

5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine] (PubChem CID 121353699) has the molecular formula C17H23ClN2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]
PubChem CID121353699
Molecular FormulaC17H23ClN2
Molecular Weight290.84 g/mol
Exact Mass290.15
IUPAC Name5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CC2(CCN(CC3CC3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C17H23ClN2/c1-19-12-17(15-10-14(18)4-5-16(15)19)6-8-20(9-7-17)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12H2,1H3
InChIKeyFXFJEQAQJRJEQH-UHFFFAOYSA-N
XLogP3.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine] (CID 121353699) is 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine] is CN1CC2(CCN(CC3CC3)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is FXFJEQAQJRJEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2/c1-19-12-17(15-10-14(18)4-5-16(15)19)6-8-20(9-7-17)11-13-2-3-13/h4-5,10,13H,2-3,6-9,11-12H2,1H3.
What are the key properties of 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine]?
5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 290.84 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-(cyclopropylmethyl)-1-methylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 121353699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).