1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine

C15H27ClN2O — CID 102900750

IUPAC1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESClCCN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H27ClN2O/c16-7-8-17-9-11-18(12-10-17)13-14-3-6-15(19-14)4-1-2-5-15/h14H,1-13H2
InChIKeyCBEILPVPXCPTSY-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.33
Rot. Bonds4

About 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine

1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (PubChem CID 102900750) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
PubChem CID102900750
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC Name1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
SMILESClCCN1CCN(CC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C15H27ClN2O/c16-7-8-17-9-11-18(12-10-17)13-14-3-6-15(19-14)4-1-2-5-15/h14H,1-13H2
InChIKeyCBEILPVPXCPTSY-UHFFFAOYSA-N
XLogP2.33
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 107488807
N-(2-chloroethyl)-2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 113965291
2-[4-(1-Oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanamine
CID 102896437
2-[4-(1-Oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]acetonitrile
CID 102898007
2-[4-(1-Oxaspiro[4.4]nonan-2-ylmethyl)piperazin-1-yl]ethanol
CID 102900016
4-Chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900739
4-Chloro-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900740
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102900742
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102900744
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine
CID 102900745
2-chloro-N-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900747
2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900748

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine (CID 102900750) is 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is ClCCN1CCN(CC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
The InChIKey is CBEILPVPXCPTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2O/c16-7-8-17-9-11-18(12-10-17)13-14-3-6-15(19-14)4-1-2-5-15/h14H,1-13H2.
What are the key properties of 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine?
1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine has a molecular weight of 286.85 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine is sourced from PubChem (CID 102900750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).