1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

C20H30N2O3 — CID 70762270

IUPAC1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESCc1cc2c(cc1CN1CCCC(O)(CN3CCCC3)C1)OCCO2
InChIInChI=1S/C20H30N2O3/c1-16-11-18-19(25-10-9-24-18)12-17(16)13-22-8-4-5-20(23,15-22)14-21-6-2-3-7-21/h11-12,23H,2-10,13-15H2,1H3
InChIKeyLVAFIXBKTLAQJP-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.19
Rot. Bonds4

About 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (PubChem CID 70762270) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
PubChem CID70762270
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESCc1cc2c(cc1CN1CCCC(O)(CN3CCCC3)C1)OCCO2
InChIInChI=1S/C20H30N2O3/c1-16-11-18-19(25-10-9-24-18)12-17(16)13-22-8-4-5-20(23,15-22)14-21-6-2-3-7-21/h11-12,23H,2-10,13-15H2,1H3
InChIKeyLVAFIXBKTLAQJP-UHFFFAOYSA-N
XLogP2.19
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-oxa-9-azaspiro[5.5]undecane
CID 77082841
(4S)-N,N-dimethyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]azepan-4-amine
CID 99933542
[(3R)-3-(2-methoxyethyl)-1-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol
CID 97146559
1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77083186
1-(azepan-1-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110770188
1-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70713874
1-(1-benzofuran-5-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70707879
1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70770688
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110770175
1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70727854
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 110801706
(3R)-3-ethyl-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-3-carboxylic acid
CID 97132227

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (CID 70762270) is 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is Cc1cc2c(cc1CN1CCCC(O)(CN3CCCC3)C1)OCCO2.
What is the InChIKey of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The InChIKey is LVAFIXBKTLAQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16-11-18-19(25-10-9-24-18)12-17(16)13-22-8-4-5-20(23,15-22)14-21-6-2-3-7-21/h11-12,23H,2-10,13-15H2,1H3.
What are the key properties of 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol has a molecular weight of 346.47 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 70762270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).