2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine

C15H30N4 — CID 117044503

IUPAC2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(N2CCC(N3CCCC3)C2)CC1
InChIInChI=1S/C15H30N4/c16-6-12-17-9-3-14(4-10-17)19-11-5-15(13-19)18-7-1-2-8-18/h14-15H,1-13,16H2
InChIKeyVHECFXPOOGVVJA-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.58
Rot. Bonds4

About 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine

2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine (PubChem CID 117044503) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine
PubChem CID117044503
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(N2CCC(N3CCCC3)C2)CC1
InChIInChI=1S/C15H30N4/c16-6-12-17-9-3-14(4-10-17)19-11-5-15(13-19)18-7-1-2-8-18/h14-15H,1-13,16H2
InChIKeyVHECFXPOOGVVJA-UHFFFAOYSA-N
XLogP0.58
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]ethanamine
CID 117044687
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
4-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61216652
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
2-(1-cyclopropylpyrrolidin-3-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929879
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
CID 63169674
2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]ethanamine
CID 63632366
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 61215952
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine (CID 117044503) is 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine is NCCN1CCC(N2CCC(N3CCCC3)C2)CC1.
What is the InChIKey of 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine?
The InChIKey is VHECFXPOOGVVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c16-6-12-17-9-3-14(4-10-17)19-11-5-15(13-19)18-7-1-2-8-18/h14-15H,1-13,16H2.
What are the key properties of 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine?
2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine has a molecular weight of 266.43 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 117044503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).