1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane

C15H22ClN3 — CID 79256208

IUPAC1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESClc1ccnc(CN2CCNCC23CCCCC3)c1
InChIInChI=1S/C15H22ClN3/c16-13-4-7-18-14(10-13)11-19-9-8-17-12-15(19)5-2-1-3-6-15/h4,7,10,17H,1-3,5-6,8-9,11-12H2
InChIKeyTWCBZLGBINYFPG-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.84
Rot. Bonds2

About 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane

1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane (PubChem CID 79256208) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
PubChem CID79256208
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane
SMILESClc1ccnc(CN2CCNCC23CCCCC3)c1
InChIInChI=1S/C15H22ClN3/c16-13-4-7-18-14(10-13)11-19-9-8-17-12-15(19)5-2-1-3-6-15/h4,7,10,17H,1-3,5-6,8-9,11-12H2
InChIKeyTWCBZLGBINYFPG-UHFFFAOYSA-N
XLogP2.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane (CID 79256208) is 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane is Clc1ccnc(CN2CCNCC23CCCCC3)c1.
What is the InChIKey of 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
The InChIKey is TWCBZLGBINYFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-13-4-7-18-14(10-13)11-19-9-8-17-12-15(19)5-2-1-3-6-15/h4,7,10,17H,1-3,5-6,8-9,11-12H2.
What are the key properties of 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane?
1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane has a molecular weight of 279.81 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 79256208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).