N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine

C16H27N3O — CID 97231228

IUPACN-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine
SMILESCOC[C@@H](C)NC1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C16H27N3O/c1-14(13-20-2)18-16-6-11-19(12-7-16)10-5-15-3-8-17-9-4-15/h3-4,8-9,14,16,18H,5-7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyQZUJVECVFMAPCS-CQSZACIVSA-N
MW277.41 g/mol
LogP1.71
Rot. Bonds7

About N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine

N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine (PubChem CID 97231228) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine
PubChem CID97231228
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine
SMILESCOC[C@@H](C)NC1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C16H27N3O/c1-14(13-20-2)18-16-6-11-19(12-7-16)10-5-15-3-8-17-9-4-15/h3-4,8-9,14,16,18H,5-7,10-13H2,1-2H3/t14-/m1/s1
InChIKeyQZUJVECVFMAPCS-CQSZACIVSA-N
XLogP1.71
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]pentanamide
CID 95279933
1-(2-pyridin-4-ylethyl)piperidin-4-ol
CID 60648084
N-(1-methoxypropan-2-yl)-1-prop-2-enylpiperidin-4-amine
CID 115717917
N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 43758404
5-propan-2-yl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119043018
N-(1-methoxypropan-2-yl)-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115717923
4-methoxy-N-methyl-N-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]butanamide
CID 51102733
(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
CID 94474733
1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 110922221
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
2-[4-(1-methoxypropan-2-ylamino)piperidin-1-yl]-N-methylacetamide
CID 62536800

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine (CID 97231228) is N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine is COC[C@@H](C)NC1CCN(CCc2ccncc2)CC1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
The InChIKey is QZUJVECVFMAPCS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N3O/c1-14(13-20-2)18-16-6-11-19(12-7-16)10-5-15-3-8-17-9-4-15/h3-4,8-9,14,16,18H,5-7,10-13H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine?
N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-1-(2-pyridin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 97231228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).