2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine

C14H29N3 — CID 115210457

IUPAC2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
SMILESCN1CCC(CCNCCC2CCCN2)CC1
InChIInChI=1S/C14H29N3/c1-17-11-6-13(7-12-17)4-9-15-10-5-14-3-2-8-16-14/h13-16H,2-12H2,1H3
InChIKeyIHKPEWHXQOVCAP-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.45
Rot. Bonds6

About 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine

2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine (PubChem CID 115210457) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
PubChem CID115210457
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
SMILESCN1CCC(CCNCCC2CCCN2)CC1
InChIInChI=1S/C14H29N3/c1-17-11-6-13(7-12-17)4-9-15-10-5-14-3-2-8-16-14/h13-16H,2-12H2,1H3
InChIKeyIHKPEWHXQOVCAP-UHFFFAOYSA-N
XLogP1.45
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 113267487
2-cyclopentyl-N-(2-piperidin-2-ylethyl)ethanamine
CID 115211186
2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210453
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208430
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230617
1-(1-methylpiperidin-4-yl)-N-(piperidin-2-ylmethyl)methanamine
CID 106633809
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
N-(2-pyrrolidin-2-ylethyl)octan-1-amine
CID 115568837
1-methyl-N-(2-pyrrolidin-2-ylethyl)piperidin-3-amine
CID 115210185
N,N'-bis(2-piperidin-2-ylethyl)propane-1,3-diamine
CID 18940745

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine (CID 115210457) is 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine is CN1CCC(CCNCCC2CCCN2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine?
The InChIKey is IHKPEWHXQOVCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-17-11-6-13(7-12-17)4-9-15-10-5-14-3-2-8-16-14/h13-16H,2-12H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine?
2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine has a molecular weight of 239.41 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine is sourced from PubChem (CID 115210457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).