1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine

C16H32N4 — CID 79328370

IUPAC1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
SMILESNC1CCN(CCN2CCC(N3CCCCC3)C2)CC1
InChIInChI=1S/C16H32N4/c17-15-4-9-18(10-5-15)12-13-19-11-6-16(14-19)20-7-2-1-3-8-20/h15-16H,1-14,17H2
InChIKeyMDVSGHDVVQICLM-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.97
Rot. Bonds4

About 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine

1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine (PubChem CID 79328370) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
PubChem CID79328370
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
SMILESNC1CCN(CCN2CCC(N3CCCCC3)C2)CC1
InChIInChI=1S/C16H32N4/c17-15-4-9-18(10-5-15)12-13-19-11-6-16(14-19)20-7-2-1-3-8-20/h15-16H,1-14,17H2
InChIKeyMDVSGHDVVQICLM-UHFFFAOYSA-N
XLogP0.97
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]piperidin-4-amine
CID 79943728
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
CID 63169674
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine
CID 117044503
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-amine
CID 66008849
3-(3-piperidin-1-ylpyrrolidin-1-yl)propanamide
CID 63171229
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine (CID 79328370) is 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine is NC1CCN(CCN2CCC(N3CCCCC3)C2)CC1.
What is the InChIKey of 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine?
The InChIKey is MDVSGHDVVQICLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c17-15-4-9-18(10-5-15)12-13-19-11-6-16(14-19)20-7-2-1-3-8-20/h15-16H,1-14,17H2.
What are the key properties of 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine?
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine has a molecular weight of 280.46 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 79328370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).