N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine

C12H22N2O — CID 43758404

IUPACN-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC(C)COC)CC1
InChIInChI=1S/C12H22N2O/c1-4-7-14-8-5-12(6-9-14)13-11(2)10-15-3/h1,11-13H,5-10H2,2-3H3
InChIKeyCCKBHNJBOJIDKZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.71
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine

N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 43758404) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID43758404
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC(C)COC)CC1
InChIInChI=1S/C12H22N2O/c1-4-7-14-8-5-12(6-9-14)13-11(2)10-15-3/h1,11-13H,5-10H2,2-3H3
InChIKeyCCKBHNJBOJIDKZ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-methoxypropan-2-yl)-1-prop-2-enylpiperidin-4-amine
CID 115717917
2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
CID 62536800
N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 115719159
N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717923
N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
CID 94474733
N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 103082637
N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 97231228
4-(1-methoxypropan-2-ylamino)cyclohexan-1-ol
CID 62535244
3-[(1-prop-2-ynylpiperidin-4-yl)amino]pentan-1-ol
CID 115723071
N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine
CID 43785961
1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 43775828

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine (CID 43758404) is N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NC(C)COC)CC1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is CCKBHNJBOJIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-7-14-8-5-12(6-9-14)13-11(2)10-15-3/h1,11-13H,5-10H2,2-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine?
N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 210.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 43758404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).