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

C15H29N3O — CID 80552664

IUPAC1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCC1CC(N2CCC(N3CCC(N)CC3)C2)CCO1
InChIInChI=1S/C15H29N3O/c1-12-10-14(5-9-19-12)18-8-4-15(11-18)17-6-2-13(16)3-7-17/h12-15H,2-11,16H2,1H3
InChIKeyQNHUIPBWIOWXBY-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.05
Rot. Bonds2

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

1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 80552664) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
PubChem CID80552664
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
SMILESCC1CC(N2CCC(N3CCC(N)CC3)C2)CCO1
InChIInChI=1S/C15H29N3O/c1-12-10-14(5-9-19-12)18-8-4-15(11-18)17-6-2-13(16)3-7-17/h12-15H,2-11,16H2,1H3
InChIKeyQNHUIPBWIOWXBY-UHFFFAOYSA-N
XLogP1.05
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyloxan-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 102972078
(3R)-3-methyl-1-[(2S)-2-methyloxan-4-yl]piperazine
CID 156515970
1-(1-cycloheptylpyrrolidin-3-yl)piperidin-4-amine
CID 80552697
4-(3-morpholin-4-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 63169926
3-[1-(2-methyloxan-4-yl)piperidin-4-yl]propanoic acid
CID 65062149
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-[1-(1-methylazepan-4-yl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552910
1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 65072032
4-methyl-1-(2-methyloxan-4-yl)piperidine-4-carboxylic acid
CID 65064613
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
(3S)-1-(oxan-4-yl)pyrrolidin-3-amine
CID 53256288
1-(oxolan-3-yl)piperidin-4-amine
CID 63333556

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine (CID 80552664) is 1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine is CC1CC(N2CCC(N3CCC(N)CC3)C2)CCO1.
What is the InChIKey of 1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is QNHUIPBWIOWXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-10-14(5-9-19-12)18-8-4-15(11-18)17-6-2-13(16)3-7-17/h12-15H,2-11,16H2,1H3.
What are the key properties of 1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine?
1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 267.42 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methyloxan-4-yl)pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 80552664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).