1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine

C19H28N2 — CID 171586794

IUPAC1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine
SMILESc1ccc([C@@H]2CCCCC23CC(N2CCNCC2)C3)cc1
InChIInChI=1S/C19H28N2/c1-2-6-16(7-3-1)18-8-4-5-9-19(18)14-17(15-19)21-12-10-20-11-13-21/h1-3,6-7,17-18,20H,4-5,8-15H2/t17?,18-,19?/m0/s1
InChIKeyCGWJJJKXPRWVAD-XBMUEBEBSA-N
MW284.45 g/mol
LogP3.40
Rot. Bonds2

About 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine

1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine (PubChem CID 171586794) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine.

Molecular Properties

Compound Name1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine
PubChem CID171586794
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine
SMILESc1ccc([C@@H]2CCCCC23CC(N2CCNCC2)C3)cc1
InChIInChI=1S/C19H28N2/c1-2-6-16(7-3-1)18-8-4-5-9-19(18)14-17(15-19)21-12-10-20-11-13-21/h1-3,6-7,17-18,20H,4-5,8-15H2/t17?,18-,19?/m0/s1
InChIKeyCGWJJJKXPRWVAD-XBMUEBEBSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylcyclohexyl)piperazine chloride
CID 53347254
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157
(5S,6S)-6-phenyl-1-azaspiro[4.5]decane
CID 97356341
(2R,3S)-2-phenyl-5-azaspiro[2.4]heptane
CID 121315230
2-phenyl-5-azaspiro[2.4]heptane
CID 84654707
(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 126622795
7-phenyl-2-azaspiro[3.3]heptane
CID 121206984
1-(2,3-dihydro-1H-inden-2-yl)piperazine
CID 22648168
11-phenyl-1-oxa-4-azaspiro[5.5]undecane
CID 105403743
(4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 97122546
1-(2,3-dihydro-1H-inden-2-yl)piperazine;dihydrochloride
CID 50944348
1-cycloheptylpiperazine;methane
CID 143122535

Frequently Asked Questions

What is the IUPAC name of 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine?
The IUPAC name of 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine (CID 171586794) is 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine.
What is the SMILES notation for 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine?
The canonical SMILES for 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine is c1ccc([C@@H]2CCCCC23CC(N2CCNCC2)C3)cc1.
What is the InChIKey of 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine?
The InChIKey is CGWJJJKXPRWVAD-XBMUEBEBSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-6-16(7-3-1)18-8-4-5-9-19(18)14-17(15-19)21-12-10-20-11-13-21/h1-3,6-7,17-18,20H,4-5,8-15H2/t17?,18-,19?/m0/s1.
What are the key properties of 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine?
1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine has a molecular weight of 284.45 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9R)-9-phenylspiro[3.5]nonan-2-yl]piperazine is sourced from PubChem (CID 171586794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).