ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol

C13H28N2O — CID 177318564

IUPACethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
SMILESCC.CN1CCC(CN2CCC(O)C2)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-12-5-2-10(3-6-12)8-13-7-4-11(14)9-13;1-2/h10-11,14H,2-9H2,1H3;1-2H3
InChIKeySXTSRUSEIHOPDI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.42
Rot. Bonds2

About ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol

ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 177318564) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
PubChem CID177318564
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol
SMILESCC.CN1CCC(CN2CCC(O)C2)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-12-5-2-10(3-6-12)8-13-7-4-11(14)9-13;1-2/h10-11,14H,2-9H2,1H3;1-2H3
InChIKeySXTSRUSEIHOPDI-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-ol;propane
CID 168901872
1-(cyclopentylmethyl)pyrrolidin-3-ol
CID 62916815
1-[(1-methylazetidin-3-yl)methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 169319865
(3R)-1-(piperidin-4-ylmethyl)pyrrolidin-3-ol
CID 86323280
ethane;4-[(3-methoxypyrrolidin-1-yl)methyl]-1-methylpiperidine
CID 142390528
(3R)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892648
1-(2-aminoethyl)pyrrolidin-3-ol;ethane
CID 145171245
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752
1-[[(3R)-1-methylpiperidin-3-yl]methyl]piperidin-4-ol
CID 156719953
4-ethyl-3-methyl-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 165137857
5-methyl-2-[(1-methylpiperidin-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 162741705
1,2,6-trimethyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 155218428

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol (CID 177318564) is ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol is CC.CN1CCC(CN2CCC(O)C2)CC1.
What is the InChIKey of ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is SXTSRUSEIHOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-12-5-2-10(3-6-12)8-13-7-4-11(14)9-13;1-2/h10-11,14H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol?
ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 177318564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).