N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine

C15H28N2O2 — CID 79544945

IUPACN-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
SMILESC1CCC(C2CCCC2NCC2COCCO2)NC1
InChIInChI=1S/C15H28N2O2/c1-2-7-16-14(5-1)13-4-3-6-15(13)17-10-12-11-18-8-9-19-12/h12-17H,1-11H2
InChIKeyXYCDQTBAPIAYPG-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.30
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine

N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine (PubChem CID 79544945) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
PubChem CID79544945
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
SMILESC1CCC(C2CCCC2NCC2COCCO2)NC1
InChIInChI=1S/C15H28N2O2/c1-2-7-16-14(5-1)13-4-3-6-15(13)17-10-12-11-18-8-9-19-12/h12-17H,1-11H2
InChIKeyXYCDQTBAPIAYPG-UHFFFAOYSA-N
XLogP1.30
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543757
N-(oxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544731
N-(oxolan-3-ylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543754
N-(cyclobutylmethyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79545811
N-(cyclohexylmethyl)-2-morpholin-3-ylcyclopentan-1-amine
CID 120914381
N-(cyclopentylmethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915794
trans-(1S,2S)-2-(1,4-dioxan-2-ylmethylamino)cyclopentan-1-ol
CID 102733169
4-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 106124969
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543505
N-[(4-ethylcyclohexyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 79538663
N-[(2-methylcyclopentyl)methyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 107416966
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine (CID 79544945) is N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine is C1CCC(C2CCCC2NCC2COCCO2)NC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine?
The InChIKey is XYCDQTBAPIAYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-7-16-14(5-1)13-4-3-6-15(13)17-10-12-11-18-8-9-19-12/h12-17H,1-11H2.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine?
N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-piperidin-2-ylcyclopentan-1-amine is sourced from PubChem (CID 79544945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).