4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

C19H28ClN3O — CID 87856620

IUPAC4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4ccnc(Cl)c4)C3)C2)CC1
InChIInChI=1S/C19H28ClN3O/c20-18-12-16(6-9-21-18)22-10-1-7-19(13-22)8-11-23(14-19)15-2-4-17(24)5-3-15/h6,9,12,15,17,24H,1-5,7-8,10-11,13-14H2/t15?,17?,19-/m0/s1
InChIKeyGOGHOQNTGJJWLZ-KVWWFHCMSA-N
MW349.91 g/mol
LogP3.33
Rot. Bonds2

About 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol

4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (PubChem CID 87856620) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
PubChem CID87856620
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC Name4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(N2CC[C@]3(CCCN(c4ccnc(Cl)c4)C3)C2)CC1
InChIInChI=1S/C19H28ClN3O/c20-18-12-16(6-9-21-18)22-10-1-7-19(13-22)8-11-23(14-19)15-2-4-17(24)5-3-15/h6,9,12,15,17,24H,1-5,7-8,10-11,13-14H2/t15?,17?,19-/m0/s1
InChIKeyGOGHOQNTGJJWLZ-KVWWFHCMSA-N
XLogP3.33
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol (CID 87856620) is 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is OC1CCC(N2CC[C@]3(CCCN(c4ccnc(Cl)c4)C3)C2)CC1.
What is the InChIKey of 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
The InChIKey is GOGHOQNTGJJWLZ-KVWWFHCMSA-N. The full InChI is InChI=1S/C19H28ClN3O/c20-18-12-16(6-9-21-18)22-10-1-7-19(13-22)8-11-23(14-19)15-2-4-17(24)5-3-15/h6,9,12,15,17,24H,1-5,7-8,10-11,13-14H2/t15?,17?,19-/m0/s1.
What are the key properties of 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol?
4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol has a molecular weight of 349.91 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-7-(2-chloro-4-pyridinyl)-2,7-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 87856620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).