4-(4-chloro-1,3-benzodioxol-5-yl)piperidine

C12H14ClNO2 — CID 117351988

IUPAC4-(4-chloro-1,3-benzodioxol-5-yl)piperidine
SMILESClc1c(C2CCNCC2)ccc2c1OCO2
InChIInChI=1S/C12H14ClNO2/c13-11-9(8-3-5-14-6-4-8)1-2-10-12(11)16-7-15-10/h1-2,8,14H,3-7H2
InChIKeyQNSMVDVRWQYIPN-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.54
Rot. Bonds1

About 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine

4-(4-chloro-1,3-benzodioxol-5-yl)piperidine (PubChem CID 117351988) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine.

Molecular Properties

Compound Name4-(4-chloro-1,3-benzodioxol-5-yl)piperidine
PubChem CID117351988
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name4-(4-chloro-1,3-benzodioxol-5-yl)piperidine
SMILESClc1c(C2CCNCC2)ccc2c1OCO2
InChIInChI=1S/C12H14ClNO2/c13-11-9(8-3-5-14-6-4-8)1-2-10-12(11)16-7-15-10/h1-2,8,14H,3-7H2
InChIKeyQNSMVDVRWQYIPN-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387252
4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117342505
4-(5-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-6-yl)piperidine
CID 117418008
2-[(4-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117351934
3-(4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 84684757
3-chloro-6-piperidin-4-ylbenzene-1,2-diol
CID 117327816
4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine
CID 117423049
4-[2-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine
CID 166020751
4-chloro-1,3-benzodioxole-5-carbonitrile
CID 117278958
4-bromo-6-pyrrolidin-3-yl-1,3-benzodioxol-5-ol
CID 117460692
4-[(6-chloro-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117387532
3-(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine
CID 84684759

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine?
The IUPAC name of 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine (CID 117351988) is 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine.
What is the SMILES notation for 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine?
The canonical SMILES for 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine is Clc1c(C2CCNCC2)ccc2c1OCO2.
What is the InChIKey of 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine?
The InChIKey is QNSMVDVRWQYIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-11-9(8-3-5-14-6-4-8)1-2-10-12(11)16-7-15-10/h1-2,8,14H,3-7H2.
What are the key properties of 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine?
4-(4-chloro-1,3-benzodioxol-5-yl)piperidine has a molecular weight of 239.70 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,3-benzodioxol-5-yl)piperidine is sourced from PubChem (CID 117351988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).