N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine

C13H27N3 — CID 62513081

IUPACN-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3/c1-3-14-10-12-4-9-16(11-12)13-5-7-15(2)8-6-13/h12-14H,3-11H2,1-2H3
InChIKeyPHLABUXXOSTNRY-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds4

About N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine

N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 62513081) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
PubChem CID62513081
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine
SMILESCCNCC1CCN(C2CCN(C)CC2)C1
InChIInChI=1S/C13H27N3/c1-3-14-10-12-4-9-16(11-12)13-5-7-15(2)8-6-13/h12-14H,3-11H2,1-2H3
InChIKeyPHLABUXXOSTNRY-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 550780
CID 550780
CID 3157476
CID 3157476
CID 78703
CID 78703
CID 219458
CID 219458
CID 2758239
CID 2758239
CID 3824021
CID 3824021
CID 17389968
CID 17389968
CID 23008883
CID 23008883
CID 23009617
CID 23009617
CID 296293
CID 296293
CID 21978903
CID 21978903
CID 21057734
CID 21057734

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine (CID 62513081) is N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine is CCNCC1CCN(C2CCN(C)CC2)C1.
What is the InChIKey of N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is PHLABUXXOSTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-14-10-12-4-9-16(11-12)13-5-7-15(2)8-6-13/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine?
N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 62513081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).