N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine

C14H28N2O2 — CID 66472718

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCN(CCC1OCCCO1)C1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-2-9-16(13-4-7-15-8-5-13)10-6-14-17-11-3-12-18-14/h13-15H,2-12H2,1H3
InChIKeyLIJVFDQCSDTUTO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.60
Rot. Bonds6

About N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine

N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine (PubChem CID 66472718) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine
PubChem CID66472718
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCN(CCC1OCCCO1)C1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-2-9-16(13-4-7-15-8-5-13)10-6-14-17-11-3-12-18-14/h13-15H,2-12H2,1H3
InChIKeyLIJVFDQCSDTUTO-UHFFFAOYSA-N
XLogP1.60
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60806655
3-[cyclobutyl-[2-(1,3-dioxan-2-yl)ethyl]amino]propan-1-ol
CID 102848652
N-(cyclopropylmethyl)-N-propylazepan-4-amine
CID 63902557
N-[2-[piperidin-4-yl(propyl)amino]ethyl]acetamide
CID 60807684
methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
N-(oxolan-3-ylmethyl)-N-propylpiperidin-4-amine
CID 61312064
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
1-cyclohexyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 104750584
methyl 4-[piperidin-4-yl(propyl)amino]butanoate
CID 54923740
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
N-(4-methoxybutyl)-N-propylpiperidin-4-amine
CID 115741630

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine (CID 66472718) is N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine is CCCN(CCC1OCCCO1)C1CCNCC1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine?
The InChIKey is LIJVFDQCSDTUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-2-9-16(13-4-7-15-8-5-13)10-6-14-17-11-3-12-18-14/h13-15H,2-12H2,1H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine?
N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine has a molecular weight of 256.39 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 66472718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).