[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid

C16H22N2O3 — CID 22573238

IUPAC[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CC2CCc3ccccc3O2)CC1
InChIInChI=1S/C16H22N2O3/c19-16(20)17-13-7-9-18(10-8-13)11-14-6-5-12-3-1-2-4-15(12)21-14/h1-4,13-14,17H,5-11H2,(H,19,20)
InChIKeyMPJHHIXMHHGCBB-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds3

About [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid

[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid (PubChem CID 22573238) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid
PubChem CID22573238
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(CC2CCc3ccccc3O2)CC1
InChIInChI=1S/C16H22N2O3/c19-16(20)17-13-7-9-18(10-8-13)11-14-6-5-12-3-1-2-4-15(12)21-14/h1-4,13-14,17H,5-11H2,(H,19,20)
InChIKeyMPJHHIXMHHGCBB-UHFFFAOYSA-N
XLogP2.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
CID 22573243
4-benzyl-1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidine
CID 11220953
1-(3,4-dihydro-2H-chromen-2-ylmethyl)-5-hydroxy-4-oxopyridine-3-carboxylic acid
CID 58067700
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1,2,4-triazole
CID 50965959
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 139005711
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxolan-2-one
CID 157011867
N-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-chromen-7-yl]benzenesulfonamide
CID 10178364
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid?
The IUPAC name of [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid (CID 22573238) is [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(CC2CCc3ccccc3O2)CC1.
What is the InChIKey of [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid?
The InChIKey is MPJHHIXMHHGCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-16(20)17-13-7-9-18(10-8-13)11-14-6-5-12-3-1-2-4-15(12)21-14/h1-4,13-14,17H,5-11H2,(H,19,20).
What are the key properties of [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid?
[1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid has a molecular weight of 290.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 22573238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).