1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine

C16H29ClN2O — CID 102900751

IUPAC1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
SMILESClCCN1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H29ClN2O/c17-8-9-18-10-12-19(13-11-18)14-15-4-7-16(20-15)5-2-1-3-6-16/h15H,1-14H2
InChIKeyRQWQMRVCUFOGKP-UHFFFAOYSA-N
MW300.87 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine

1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine (PubChem CID 102900751) has the molecular formula C16H29ClN2O and a molecular weight of 300.87 g/mol. Its IUPAC name is 1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
PubChem CID102900751
Molecular FormulaC16H29ClN2O
Molecular Weight300.87 g/mol
Exact Mass300.20
IUPAC Name1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine
SMILESClCCN1CCN(CC2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C16H29ClN2O/c17-8-9-18-10-12-19(13-11-18)14-15-4-7-16(20-15)5-2-1-3-6-16/h15H,1-14H2
InChIKeyRQWQMRVCUFOGKP-UHFFFAOYSA-N
XLogP2.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.87
LogP ≤ 52.72
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

2-[4-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanol
CID 102848051
2-[4-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]acetonitrile
CID 102848125
2-[4-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperazin-1-yl]ethanamine
CID 102896438
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[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102900744
N-(2-chloroethyl)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexanamine
CID 102900745
N-(2-chloroethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexanamine
CID 102900746
2-chloro-N-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900748
1-(2-Chloroethyl)-4-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperazine
CID 102900750
2-chloro-N-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102900753
3-Chloro-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900754

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine?
The IUPAC name of 1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine (CID 102900751) is 1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine is ClCCN1CCN(CC2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of 1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine?
The InChIKey is RQWQMRVCUFOGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29ClN2O/c17-8-9-18-10-12-19(13-11-18)14-15-4-7-16(20-15)5-2-1-3-6-16/h15H,1-14H2.
What are the key properties of 1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine?
1-(2-chloroethyl)-4-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine has a molecular weight of 300.87 g/mol, XLogP of 2.72, 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[4.5]decan-2-ylmethyl)piperazine is sourced from PubChem (CID 102900751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).