1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine

C16H32N4 — CID 80552910

IUPAC1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCN1CCCC(N2CCC(N3CCC(N)CC3)C2)CC1
InChIInChI=1S/C16H32N4/c1-18-8-2-3-15(6-9-18)20-12-7-16(13-20)19-10-4-14(17)5-11-19/h14-16H,2-13,17H2,1H3
InChIKeyIWRSBLVVEBVNJZ-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.97
Rot. Bonds2

About 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine

1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80552910) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80552910
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCN1CCCC(N2CCC(N3CCC(N)CC3)C2)CC1
InChIInChI=1S/C16H32N4/c1-18-8-2-3-15(6-9-18)20-12-7-16(13-20)19-10-4-14(17)5-11-19/h14-16H,2-13,17H2,1H3
InChIKeyIWRSBLVVEBVNJZ-UHFFFAOYSA-N
XLogP0.97
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-methylazepan-4-yl)piperidin-4-amine
CID 65074908
1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine
CID 80552697
[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
CID 65075116
2-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 170022407
1-[1-(1,1-dioxothiolan-3-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552789
1-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-yl]piperidin-4-amine
CID 82885892
(4R)-1-methylazocan-4-amine
CID 166102588
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733
2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
CID 158552360
1-methyl-4-[1-(1-methylpyrrolidin-3-yl)azetidin-3-yl]piperazine
CID 167091081
ethane;1-methylpiperidin-4-amine
CID 123622295

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine (CID 80552910) is 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine is CN1CCCC(N2CCC(N3CCC(N)CC3)C2)CC1.
What is the InChIKey of 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is IWRSBLVVEBVNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-18-8-2-3-15(6-9-18)20-12-7-16(13-20)19-10-4-14(17)5-11-19/h14-16H,2-13,17H2,1H3.
What are the key properties of 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 280.46 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80552910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).