(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol

C19H29NO — CID 135120621

IUPAC(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@]12CCCN(CCCCc1ccccc1)C2
InChIInChI=1S/C19H29NO/c21-18-11-6-12-19(18)13-7-15-20(16-19)14-5-4-10-17-8-2-1-3-9-17/h1-3,8-9,18,21H,4-7,10-16H2/t18-,19-/m1/s1
InChIKeyJCIBSGOOXMEZBA-RTBURBONSA-N
MW287.45 g/mol
LogP3.64
Rot. Bonds5

About (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol

(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol (PubChem CID 135120621) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol
PubChem CID135120621
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol
SMILESO[C@@H]1CCC[C@]12CCCN(CCCCc1ccccc1)C2
InChIInChI=1S/C19H29NO/c21-18-11-6-12-19(18)13-7-15-20(16-19)14-5-4-10-17-8-2-1-3-9-17/h1-3,8-9,18,21H,4-7,10-16H2/t18-,19-/m1/s1
InChIKeyJCIBSGOOXMEZBA-RTBURBONSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
(4R,5S)-7-(4-phenylmethoxybutyl)-7-azaspiro[4.5]decan-4-ol
CID 135098288
formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 154915709
formic acid;(4R,5S)-7-(3-phenylmethoxypropyl)-7-azaspiro[4.5]decan-4-ol
CID 154918067
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805
(4R,5S)-7-[[3-(4-piperidin-1-ylbutoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 165424125
9-(4-phenylbutyl)-1,4-dioxa-9-azaspiro[4.5]decane
CID 114333662
(4R,5S)-7-[(E)-3-phenylprop-2-enyl]-7-azaspiro[4.5]decan-4-ol
CID 165422452
formic acid;(4R,5R)-7-[[4-(2-phenylethoxy)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 154918583
(4R,5S)-7-[(4-chlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135097855
(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462
(4R,5S)-7-benzyl-7-azaspiro[4.5]decane-4-carboxylic acid
CID 15517982

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol (CID 135120621) is (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol is O[C@@H]1CCC[C@]12CCCN(CCCCc1ccccc1)C2.
What is the InChIKey of (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol?
The InChIKey is JCIBSGOOXMEZBA-RTBURBONSA-N. The full InChI is InChI=1S/C19H29NO/c21-18-11-6-12-19(18)13-7-15-20(16-19)14-5-4-10-17-8-2-1-3-9-17/h1-3,8-9,18,21H,4-7,10-16H2/t18-,19-/m1/s1.
What are the key properties of (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol?
(4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol has a molecular weight of 287.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-(4-phenylbutyl)-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 135120621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).