1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride

C16H27ClN2O — CID 110204181

IUPAC1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C16H26N2O.ClH/c17-14-1-3-18(4-2-14)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16;/h11-14H,1-10,17H2;1H
InChIKeyUMQRATLIMGSFPL-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.57
Rot. Bonds1

About 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride

1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride (PubChem CID 110204181) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
PubChem CID110204181
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C16H26N2O.ClH/c17-14-1-3-18(4-2-14)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16;/h11-14H,1-10,17H2;1H
InChIKeyUMQRATLIMGSFPL-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantyl(azepan-1-yl)methanone
CID 2838808
1-adamantyl-[4-(1-aminoethyl)piperidin-1-yl]methanone
CID 63594641
1-adamantyl(piperazin-1-yl)methanone;hydrochloride
CID 17233942
2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 119374560
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
[4-[(3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]piperazin-1-yl]-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98129534
1-adamantyl-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80667233
1-adamantyl-[4-(1-chloroethyl)piperidin-1-yl]methanone
CID 106838853
1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
CID 19387509
1-adamantyl-(4-propan-2-yloxypiperidin-1-yl)methanone
CID 110725415
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328
(4-aminopiperidin-1-yl)-(1-methylcyclopropyl)methanone;hydrochloride
CID 166001469

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride?
The IUPAC name of 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride (CID 110204181) is 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride?
The canonical SMILES for 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride is Cl.NC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride?
The InChIKey is UMQRATLIMGSFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c17-14-1-3-18(4-2-14)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16;/h11-14H,1-10,17H2;1H.
What are the key properties of 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride?
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 110204181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).