9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane

C18H25ClN2 — CID 64877376

IUPAC9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
SMILESClc1ccc(CN2CC3(CCCC3)NCC2C2CC2)cc1
InChIInChI=1S/C18H25ClN2/c19-16-7-3-14(4-8-16)12-21-13-18(9-1-2-10-18)20-11-17(21)15-5-6-15/h3-4,7-8,15,17,20H,1-2,5-6,9-13H2
InChIKeyFEAHMJWXPNNCGF-UHFFFAOYSA-N
MW304.86 g/mol
LogP3.84
Rot. Bonds3

About 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane

9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane (PubChem CID 64877376) has the molecular formula C18H25ClN2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
PubChem CID64877376
Molecular FormulaC18H25ClN2
Molecular Weight304.86 g/mol
Exact Mass304.17
IUPAC Name9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
SMILESClc1ccc(CN2CC3(CCCC3)NCC2C2CC2)cc1
InChIInChI=1S/C18H25ClN2/c19-16-7-3-14(4-8-16)12-21-13-18(9-1-2-10-18)20-11-17(21)15-5-6-15/h3-4,7-8,15,17,20H,1-2,5-6,9-13H2
InChIKeyFEAHMJWXPNNCGF-UHFFFAOYSA-N
XLogP3.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877763
8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64878339
9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 104812533
3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 82872339
9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 64875648
8-cyclopropyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016553
8-cyclopropyl-9-[(2-methyltetrazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055892
4-(cyclobutylmethyl)-3-cyclopropyl-1,4-diazaspiro[5.5]undecane
CID 65461677
2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65491763
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014
1-[(3-chlorophenyl)methyl]-2-cyclopropyl-5,5-dimethylpiperazine
CID 64838558
2-cyclopropyl-1-[(2,5-dichlorophenyl)methyl]-5,5-dimethylpiperazine
CID 65317510

Frequently Asked Questions

What is the IUPAC name of 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
The IUPAC name of 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane (CID 64877376) is 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane is Clc1ccc(CN2CC3(CCCC3)NCC2C2CC2)cc1.
What is the InChIKey of 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
The InChIKey is FEAHMJWXPNNCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2/c19-16-7-3-14(4-8-16)12-21-13-18(9-1-2-10-18)20-11-17(21)15-5-6-15/h3-4,7-8,15,17,20H,1-2,5-6,9-13H2.
What are the key properties of 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane?
9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane has a molecular weight of 304.86 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).