N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride

C17H25Cl2FN2 — CID 155857240

IUPACN-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
SMILESCl.Cl.Fc1ccc2c(c1)C1(CCNCC1)CC2NCC1CC1
InChIInChI=1S/C17H23FN2.2ClH/c18-13-3-4-14-15(9-13)17(5-7-19-8-6-17)10-16(14)20-11-12-1-2-12;;/h3-4,9,12,16,19-20H,1-2,5-8,10-11H2;2*1H
InChIKeyUHYCNDCLQQAXGE-UHFFFAOYSA-N
MW347.31 g/mol
LogP3.73
Rot. Bonds3

About N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride

N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride (PubChem CID 155857240) has the molecular formula C17H25Cl2FN2 and a molecular weight of 347.31 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
PubChem CID155857240
Molecular FormulaC17H25Cl2FN2
Molecular Weight347.31 g/mol
Exact Mass346.14
IUPAC NameN-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
SMILESCl.Cl.Fc1ccc2c(c1)C1(CCNCC1)CC2NCC1CC1
InChIInChI=1S/C17H23FN2.2ClH/c18-13-3-4-14-15(9-13)17(5-7-19-8-6-17)10-16(14)20-11-12-1-2-12;;/h3-4,9,12,16,19-20H,1-2,5-8,10-11H2;2*1H
InChIKeyUHYCNDCLQQAXGE-UHFFFAOYSA-N
XLogP3.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
CID 118742079
CID 58295805
CID 58295805
N-cyclopentylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
CID 118742131
(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 138723133
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842
1-ethoxy-5-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 131660291
[1-(cyclopropylmethyl)-5-fluorospiro[2H-indol-1-ium-3,4'-piperidine]-1-yl]-(4-fluorophenyl)methanone
CID 87890511
2-(5-fluorospiro[2H-indole-3,4'-piperidine]-1-yl)-1-piperidin-4-ylethanol
CID 91582523
6-fluorospiro[3H-indene-2,4'-piperidine]-1-one
CID 175058607
(1'R,3R)-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine;dihydrochloride
CID 129285061
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619034
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide
CID 24875818

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride (CID 155857240) is N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride is Cl.Cl.Fc1ccc2c(c1)C1(CCNCC1)CC2NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
The InChIKey is UHYCNDCLQQAXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2.2ClH/c18-13-3-4-14-15(9-13)17(5-7-19-8-6-17)10-16(14)20-11-12-1-2-12;;/h3-4,9,12,16,19-20H,1-2,5-8,10-11H2;2*1H.
What are the key properties of N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride has a molecular weight of 347.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride is sourced from PubChem (CID 155857240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).