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

C16H33N5 — CID 82885892

IUPAC1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCN1CCN(CCN2CCC(N3CCC(N)CC3)C2)CC1
InChIInChI=1S/C16H33N5/c1-18-8-10-19(11-9-18)12-13-20-5-4-16(14-20)21-6-2-15(17)3-7-21/h15-16H,2-14,17H2,1H3
InChIKeyCBZRJZWUZZRCKC-UHFFFAOYSA-N
MW295.48 g/mol
LogP-0.27
Rot. Bonds4

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

1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 82885892) has the molecular formula C16H33N5 and a molecular weight of 295.48 g/mol. Its IUPAC name is 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
PubChem CID82885892
Molecular FormulaC16H33N5
Molecular Weight295.48 g/mol
Exact Mass295.27
IUPAC Name1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
SMILESCN1CCN(CCN2CCC(N3CCC(N)CC3)C2)CC1
InChIInChI=1S/C16H33N5/c1-18-8-10-19(11-9-18)12-13-20-5-4-16(14-20)21-6-2-15(17)3-7-21/h15-16H,2-14,17H2,1H3
InChIKeyCBZRJZWUZZRCKC-UHFFFAOYSA-N
XLogP-0.27
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]piperidin-4-amine
CID 79943728
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
CID 80553977
1-[1-(2-ethylsulfanylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473943
1-[1-(3-methoxypropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552987
3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propanoic acid
CID 80553786
1-[1-(3-ethylsulfanylpropyl)pyrrolidin-3-yl]piperidin-4-amine
CID 113473944
1-[1-(3-methylbut-2-enyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553218
1-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 106455092
1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 167265161

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine (CID 82885892) is 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is CN1CCN(CCN2CCC(N3CCC(N)CC3)C2)CC1.
What is the InChIKey of 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is CBZRJZWUZZRCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5/c1-18-8-10-19(11-9-18)12-13-20-5-4-16(14-20)21-6-2-15(17)3-7-21/h15-16H,2-14,17H2,1H3.
What are the key properties of 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine?
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 295.48 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 82885892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).