2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride

C16H27ClN2O — CID 119472321

IUPAC2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)C1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-10-9-17-2-3-18(10)16(19)15-13-5-11-4-12(7-13)8-14(15)6-11;/h10-15,17H,2-9H2,1H3;1H
InChIKeyPWUSMYCSHIAQPI-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.30
Rot. Bonds1

About 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride

2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119472321) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119472321
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC Name2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CNCCN1C(=O)C1C2CC3CC(C2)CC1C3.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-10-9-17-2-3-18(10)16(19)15-13-5-11-4-12(7-13)8-14(15)6-11;/h10-15,17H,2-9H2,1H3;1H
InChIKeyPWUSMYCSHIAQPI-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bicyclo[3.1.0]hexanyl-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470839
2-bicyclo[2.2.1]heptanyl-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704906
[(1R,2R)-2-methylcyclopropyl]-(2-methylpiperazin-1-yl)methanone
CID 155385369
7-bicyclo[4.1.0]heptanyl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704835
(2-cyclopropylcyclopropyl)-(2-methylpiperazin-1-yl)methanone
CID 119473712
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
2-adamantyl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877844
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
ethyl 2-methylpiperazine-1-carboxylate;hydrochloride
CID 118918526
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
(2,2-difluorocyclopropyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 165368993

Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride (CID 119472321) is 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride is CC1CNCCN1C(=O)C1C2CC3CC(C2)CC1C3.Cl.
What is the InChIKey of 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is PWUSMYCSHIAQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-10-9-17-2-3-18(10)16(19)15-13-5-11-4-12(7-13)8-14(15)6-11;/h10-15,17H,2-9H2,1H3;1H.
What are the key properties of 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride?
2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(2-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119472321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).